web: www.somewhereville.com (or www.damianallis.com)
email: damian@somewhereville.com, somewhereville@gmail.com, dgallis@syr.edu
somewhereville: facebook/twitter/skype/linkedin/researchgate/minds/diaspora/mewe/mastodon
research ids: 2108900 (publons), H-8891-2017 (web of science), 0000-0003-3614-6215 (orcid)
RESEARCH DESCRIPTION (Publication Summary and Current Research)
Computational quantum chemistry; molecular nanotechnology; the design and simulation of molecules and nanostructures; molecular-based materials for molecular electronics and nonlinear optical materials applications; nanostructures from molecular building blocks and biomimetic principles; mechanosynthetic approaches in advanced molecular manufacturing; the property prediction of solid-state materials from density functional theoretical approaches; inelastic neutron scattering vibrational spectroscopy theory and calculation; computational drug design and modeling interaction pathways; molecular modeling, vibrational properties, and predictive modeling tools for crystal polymorphism; the simulation of internal/external vibrations and conformational changes observed by terahertz (THz) spectroscopy; electronic structure theory of inorganic clusters and organometallic coordination complexes; molecular dynamics simulations and reduced model development of DNA-based nanostructures; computational design principles, property prediction and evaluation in bioconjugate chemistry; molecular mechanics/dynamics force field development; extensive background in computer hardware and software, including systems design, administration, security, cluster assembly, maintenance, parallel computing platforms, national computing facility utilization (NCSA), distributed computing and cloud-computing (amazon web services, penguin-on-demand) services, graphics design, web development, python, science writing, science outreach.
EDUCATION
Syracuse University, www.syr.edu, Syracuse, New York, USA (Aug 1998 – Oct 2004)
Graduate Fellow, Doctor of Philosophy, Physical Inorganic/Computational Quantum Chemistry
Thesis: Computational Quantum Chemistry In Initial Designs And Final Analyses
Thesis Defense: October 15, 2004, 30 GPA credits, summa cum laude
Advisor: Bruce S. Hudson, Ph.D. (2001-2004)
The comparison of theory and experiment in the inelastic neutron scattering vibrational structure of multi-molecular systems and periodic molecular arrays (crystals), focusing on hydrogen-bonded networks and organic crystal engineering; the application of periodic density functional theory to the study of electronic structure in the solid state, including molecular crystals, periodic lattices, molecular density-of-states, and polymorphism/crystal structure prediction.
Advisor: James T. Spencer, Ph.D. (1998-2004)
Molecular building block and biomimetic approaches to nanostructure design and fabrication; electronic structure theory of main group (borane and carborane) clusters, emphasizing their interactions with organic species for molecular electronics and nonlinear optical materials applications.
Departmental Research: Jon Zubieta, Ph.D. and Karin Ruhlandt, Ph.D. (2002-2004)
Theory and modeling of isomerization/rearrangement pathways of solid-state materials formed via the hydrothermal-based inorganic-organic hybrid chemistry of inorganic oxides, with specific focus on the octamolybdate class of isomers (Zubieta); computational molecular biology and transition metal radiopharmaceutical drug design via classical Molecular Mechanics/Molecular Dynamics simulations (Zubieta, Molecular Insight, Inc.); quantum chemical studies of structure and stability among the heavy alkali organometallic complexes with emphasis on the elucidation of crystal morphology from quantum chemical approaches (Ruhlandt).
Syracuse University, syr.edu, Syracuse, New York, USA (Aug 1994 – May 1998)
Bachelor of Science with Honors, Chemistry, May 1998, magna cum laude, 156/120 credits
CURRENT RESEARCH AND PROFESSIONAL POSITION
Canadian Bank Note, Ltd., cbnco.com, Ottawa, Ontario, Canada (2018-)
Principal Scientist, Program Management
Free Astronomy Magazine, astropublishing.com, Iseo, Italy (2018-)
Contributing English Language Editor, Contributing Author
Nanofactory Collaboration, molecularassembler.com/Nanofactory/ (2006-)
Independent Research, Multiple Ongoing Academic and Industrial Research Projects
SELECTED PAST RESEARCH AND PROFESSIONAL POSITIONS
Forensic And National Security Sciences Institute, fnssi.syr.edu, Syracuse, New York, USA (2012-2018)
Research Fellow, Biological and Threat Agent Modeling and Simulation
Department of Chemistry, Syracuse University, syr.edu, Syracuse, New York, USA (2007-2018)
Research Assistant Professor, Departmental and External Computational Chemistry Research
AptaMatrix, Inc. (formerly Orthosystems), aptamatrix.com, Syracuse, New York, USA (2010-2018)
Bioinformatics, Computational Modeling and Web Development
Syracuse Media Group, syracuse.com, Syracuse, New York, USA (2016-2018)
Contributing Writer, “Upstate New York Stargazing,” newyorkupstate.com and syracuse.com
– Twenty-eight monthly or, over summer months, weekly articles about observing, astronomical events, and space-related events in Central New York
Nanorex, Inc., nanorex.com, Bloomfield Hills, Michigan, USA (2004-2008)
Senior Scientist and former Scientific Advisory Board Member
– Molecular CAD-based structural DNA nanotechnology software design and force field development
– Quantum/classical nanostructure modeling and software design tools for molecular manufacturing
– nanoEngineer-1 v1.0.0, 2008 winner, Products Category, Nanotech Briefs “Nano50”
Nanohive@HOME, nanohive-1.org (February – May 2007, defunct 2008)
Project Developer, Scientific Advisor, and Content Provider
– BOINC-based distributed computing system (developed by Brian Helfrich) for nanoscale simulations
– General quantum/classical simulation tool for conformational and structural rearrangement searches
– Tooltip Failure Mode Search Project peaked at an unadvertised 3 teraFLOPS
– See doi.org/10.1166/jctn.2011.1792 (Ref. 42) for more information
Molecular Insight Pharmaceuticals, Inc., Cambridge, Massachusetts, USA (2003-2007)
Consultation Position in Computational Radiopharmaceutical Design, molecularinsight.com
– Biomolecular modeling and molecular dynamics simulations of novel synthetic radiopharma targets
– Involved in target planning sessions and responsible for AMBER/GROMOS force field development
– First design study (biotin-based analogues for ReCO3 complexation) is paper Ref. 14 (Bioconj. Chem.)
ICPDRFP/CIA, orise.orau.gov/icpostdoc, Washington, D.C. (2005-2007)
Director of Central Intelligence Postdoctoral Research Fellow with Dr. Timothy Korter
– Theory and modeling of molecular phenomena observed in solid-state terahertz (THz) spectroscopy
– Several papers and presentations relevant to threat agent/drug identification and polymorphism
– First publication (Paper Ref. 12) highlighted in Science and Chemical and Engineering News
Nanoworks, Inc., nanoworks.com, Fayetteville, New York, USA (1999-2002)
Senior Theoretician, Nanosystems Design and Simulation, Photonic and Thin Film Materials
– Principal Investigator for BMDO 2000 Phase I SBIR: Optical Computing & Optical Signal Processing
– Theory and design of novel nonlinear optical materials for use in optical-based technologies
– Molecular modeling studies served as the basis for experimental work described in Patents and several publications and presentations
Department of Chemistry, Syracuse University, syr.edu, Syracuse, New York, USA (1996-1998)
Undergraduate Researcher, Research Experience for Undergraduates (REU)
– Photolytic studies of borane clusters and aromatic systems by experimental and theoretical methods
– Theoretical studies of the photoisomerization chemistry of rhodium- and manganese- boranes
Syracuse Research Corporation/VA Hospital, srcinc.com, Syracuse, New York, USA (1995-1997)
Biological Sciences Student Trainee, Laboratory Technician for Brad C. Motter, Ph.D.
– Responsible for the design and fabrication of multi-channel tetrode hyperdrives, used chronically in the recording of activity in the mammalian cerebellum V1, V2, and V4 regions
– Surgical assistant, computer interface and protocols developer for device data collection
Northeast Parallel Architectures Center, surface.syr.edu/npac/, Syracuse, New York, USA (1994-1997)
Internet and Database Development for www.csir.org (website defunct, 2001)
– Responsible for processing and cataloging of software submissions for Chemistry Software and Information Resources (www.csir.org), an online chemistry software information database.
– Developed new GUI and HTML protocols to work with the new site requirements, including the restructuring of the existing databases for IEEE compliance.
College Of Visual And Performing Arts (Syracuse Stage), Event Productions, Classroom Presentation Services, Syracuse University, syr.edu, Syracuse, New York, USA (1994-1995)
– VPA/SS – syracusestage.org – house drummer; performances included “The Taffetas,” “Merrily We Roll Along,” “She Loves Me,” and Blackstone The Magician
– EP – technical crew for setup and teardown of sound/lighting/stages at university events, including games, concerts, and campus festivals
– CPS – database development for the campus-wide computer/laptop loaning program; support for (then) technology-heavy courses and events across campus
SELECTED CONTENT, HONORS AND ORGANIZATIONS
Invited Essays, Interviews, Slidecasts, Free Press, Writings, Talks
NASA-SSA Lecture: Allis D.G. “A Kid’s/Teen’s/Adult’s Guide To The 2024 Total Solar Eclipse.” (1) Mount Morris Public Library, Mount Morris, NY, 17 March 2024, (2) San Lorenzo Montessori, Fairport, NY, 20 March 2024, (3) Hamlin Public Library, Hamlin, NY, 20 March 2024, (4) Lyons Public Library, Lyons, NY, 21 March 2024, (5,6) Ontario Public Library, Ontario, NY, 23 and 25 March 2024, (7) Jefferson Avenue Elementary School, Fairport, NY, 25 March 2024, (8) Ferris Hills At West Lake, Canandaigua, NY, 26 March 2024.
Contributing Writer: Allis D.G. “Ancient And Everywhere, Webb Detects Organic Molecules” – Free Astronomy Magazine, astropublishing.com/6FAM2023, November-December 2023.
Contributing Writer: Allis D.G. “The Definitive Discovery Of Organics On Mars” – Free Astronomy Magazine, astropublishing.com/1FAM2023, January-February 2023.
Contributing Writer: Allis D.G. “Ingenuity At 29 Flights And Approaching Winter” – Free Astronomy Magazine, astropublishing.com/4FAM2022, July-August 2022.
Contributing Writer: Allis D.G. “The Webb Space Telescope Is Ready To Amaze Us” – Free Astronomy Magazine, astropublishing.com/2FAM2022, March-April 2022.
Contributing Writer: Allis D.G. “DAVINCI+ And VERITAS To Explore Venus” – Free Astronomy Magazine, astropublishing.com/4FAM2021, July-August 2021.
Contributing Writer: Allis D.G. “Ingenuity’s First Flight” – Free Astronomy Magazine, astropublishing.com/3FAM2021, May-June 2021.
Contributing Writer: Allis D.G. “Mars Rovers: From Sojourner To Perseverance – Perseverance” – Free Astronomy Magazine, astropublishing.com/2FAM2021, March-April 2021.
Contributing Writer: Allis D.G. “OSIRIS-REx Set To Return A Feather From Bennu” – Free Astronomy Magazine, astropublishing.com/1FAM2021, January-February 2021.
Contributing Writer: Allis D.G. “Small Molecules, Big Questions – The Detection Of Venusian Phosphine” – Free Astronomy Magazine, astropublishing.com/6FAM2020, November-December 2020.
Contributing Writer: Allis D.G. “Amateur Astronomy And Outreach – A Local Perspective” – Free Astronomy Magazine, astropublishing.com/2FAM2020, March-April 2020.
NASA-SSA, Public Lecture: Allis D.G. “Walking On The Moon – The 50th Anniversary Of (Arguably) The Greatest Year In Space (So Far)” – (1) Hamlin Public Library, Hamlin, NY, 1 August 2019 (youth), (2) Mendon Public Library, Honeoye Falls, NY, 5 August 2019 (youth), (3) Victor Farmington Library, Victor, NY, 6 August 2019 (youth), (4) Hamlin Public Library, Hamlin, NY, 8 August 2019 (adult).
Contributing Writer: Allis D.G. “A Possible Subglacial Lake On Mars” – Free Astronomy Magazine, astropublishing.com/5FAM2018, September-October 2018.
NASA-SSA, Public Lecture: Allis D.G. “The Year In Space 2018 – Things That Keep Some Of Us Up At Night” – Science Exploration Day 2018, CWS-STANYS, St. John Fisher College, Rochester, NY, 18 May 2018.
NASA-SSA, Public Lecture: Allis D.G. “Planet Nine From Outer Space” – Liverpool Public Library, Liverpool, NY, 19 April 2018.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In April: The Lyrid Meteor Shower” – syracuse.com link, 2 April 2018.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In March: Two Full Moons, Venus And Mercury After Sunset” – syracuse.com link, 1 March 2018.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In February: Morning Planets And Early Notice Of A Doomed Space Station” – syracuse.com link, 1 February 2018.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In January: Supermoon, Quadrantids By Moonlight, Uranus By Binoculars” – syracuse.com link, 1 January 2018.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In December: The Geminid And Ursid Meteor Showers Close Out The Observing Year” – syracuse.com link, 30 November 2017.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In November: The Leonid Meteor Shower Takes The Stage” – syracuse.com link, 1 November 2017.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In October: The Orionids, International Observe The Moon Night” – syracuse.com link, 1 October 2017.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In September: Cassini’s End And Morning Planet Delights” – syracuse.com link, 1 September 2017.
Contributing Writer: Allis D.G. “Stargazing In Upstate NY: What To See In The Night Skies August 18 to August 25” – syracuse.com link, 18 August 2017.
NASA-SSA, Inaugural Public Lecture: Allis D.G. “The Great American Eclipse (2017)” – Skaneateles Public Library, Skaneateles, NY, 21 August 2017; NOPL North Syracuse, North Syracuse, NY, 14 August 2017; Cazenovia Public Library, Cazenovia, NY, 16 August 2017; Community Library of DeWitt and Jamesville, Jamesville, NY, 21 August 2017.
Contributing Writer: Allis D.G. “Stargazing In Upstate NY: Where To Find Solar Eclipse Parties” – syracuse.com link, 11 August 2017.
Contributing Writer: Allis D.G. “Stargazing In Upstate NY: What To See In The Night Skies August 4 To August 11” – syracuse.com link, 4 August 2017.
Contributing Writer: Allis D.G. “Stargazing In Upstate NY: What To See In The Night Skies July 28 To August 4” – syracuse.com link, 28 July 2017.
Contributing Writer: Allis D.G. “Stargazing In Upstate NY: What To See In The Night Skies July 21 To July 28” – syracuse.com link, 21 July 2017.
Contributing Writer: Allis D.G. “Stargazing In Upstate NY: What To See In The Night Skies July 14 To July 21” – syracuse.com link, 14 July 2017.
Contributing Writer: Allis D.G. “Stargazing In Upstate NY: What To See In The Night Skies July 7 To July 14” – syracuse.com link, 7 July 2017.
Contributing Writer: Allis D.G. “Stargazing In Upstate NY: What To See In The Night Skies June 30 o July 7” – syracuse.com link, 30 June 2017.
Contributing Writer: Allis D.G. “June Stargazing In Upstate NY: What To Look For In The Skies This Month” – syracuse.com link, 1 June 2017.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In May: A Meteor Shower And Preparations For The Solar Eclipse” – syracuse.com link, 31 April 2017.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In April: Comet Hunting And The Lyrid Meteor Shower” – syracuse.com link, 31 March 2017.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In March: Messier Marathon And The Lunar Occultation Of Aldebaran” – syracuse.com link, 1 March 2017.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In February: Lunar Eclipse, Kopernik Star Party, ‘Dog Nights Of Winter’” – syracuse.com link, 1 February 2017.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In January: Quadrantid Meteors And Winter’s Best Early Evenings” – syracuse.com link, 3 January 2017.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In December: Geminid Meteor Shower, Another Supermoon” – syracuse.com link, 2 December 2016.
Contributing Writer: Allis D.G. “November Stargazing In Upstate NY: Catch The Sometimes Roaring Leonids” – syracuse.com link, 31 October 2016.
NASA-SSA, Inaugural Lecture: Allis D.G. “International Observe The Moon Night” – Technology Alliance of Central New York and Milton J. Rubenstein Museum of Science & Technology Sweet Science Series Inaugural Lecture, Syracuse, NY, 8 October 2016.
NASA-SSA, Keynote Lecture: Allis D.G. “Gravitational Waves – A New Way to Know the Universe” – Kopernik AstroFest 2016, Kopernik Astronomical Society, Vestal, NY, 8 October 2016.
Contributing Writer: Allis D.G. “Upstate NY Stargazing In October: Prominent Constellations Of summer And Winter Visible On Autumn Nights” – syracuse.com link, 3 October 2016.
NASA-SSA, Public Lecture: Allis D.G. “Black Holes & Gravitational Waves” – Liverpool Public Library, Liverpool, NY, 22 September 2016.
Contributing Writer: Allis D.G. “Stargazing In Upstate NY In September: Look For More Subtle Objects On Autumn Nights” – syracuse.com link, 6 September 2016.
Contributing Writer: Allis D.G. “Stargazing In Upstate NY In August: See The Milky Way, Perseid Meteor Shower” – syracuse.com link, 1 August 2016.
Contributing Writer: Allis D.G. “Night Sky-Gazing In Upstate NY: What To Look For In July” – syracuse.com link, 7 July 2016.
NASA-SSA, Presenter: Allis D.G. TACNY Maker Hall at the Dr. King Community Day, Syracuse City School District, Syracuse, NY, 30 January 2016.
NASA-SSA, Public Lecture: Allis D.G. “A Big Year For Dwarf Planets: Highlights Of The NASA Missions To Ceres & Pluto” – Liverpool Public Library, Liverpool, NY, 23 November 2015; Central New York Skeptics, DeWitt, NY, 20 January 2016.
NASA-SSA, Public Lecture: Allis D.G. “Citizen Science, A Bit O'Hubble, And Whatever Comes Up” – CNY Technology User Group, Liverpool Public Library, Liverpool, NY 7 December 2015.
Contributing Author: Allis D.G. “Stu’s Last Lesson” – Focal Point, Sky & Telescope Magazine, skyandtelescope.org, abstract, Vol. 128, No. 6, p.86, December, 2014.
NASA-SSA, Presenter: Allis D.G. Ying-TRSEF Summer Development and Onondaga Community College “Summer Of Science” Program, Carthage High School, Carthage, NY, 7 August 2014.
NASA-SSA, Presenter: Allis D.G. STEM Careers Day and Leadership Forum, Partners for Education & Business, National Grid, CNY Stem Hub, and SRC, Syacuse, NY 10 April 2014.
NASA-SSA, Presenter: Allis D.G. and Goodson R., ing TRSEF 2nd NASA Mini Maker Faire 2014, Onondaga Community College, Syracuse, NY, 22 March 2014.
NASA-SSA, Presenter: Allis D.G. and Goodson R., Dr. King Weekend Mini Maker Faire CNY 2014, Le Moyne College, Syracuse, NY 18 January 2014.
Feature Article (Cover): Allis D.G. “The 16-inch f/4.5 Collapsible-Truss Dobsonian From New Moon Telescopes: New Design Approaches and Old-Fashioned Craftsmanship” – Astronomy Technology Today, astronomytechnologytoday.com link, Vol. 7, Issue 3, May-June 2013.
Invited Lecture: Allis D.G. “There’s Plenty Marooned At The Bottom – The Possibilities And Politics Of Molecular Manufacturing” – SRC, Inc., Syracuse, NY 25 January 2013.
Public Lecture: Allis D.G. “A Most Unlikely Obvious Molecule – DNA And Its Consequences” – Central New York Skeptics, DeWitt Public Library, DeWitt, NY, 7 November 2012.
Public Lecture: Allis D.G. “Controversy In Science” – Central New York Skeptics, DeWitt, NY, 18 January 2012.
Invited Lecture: Allis D.G. “When Mechanical Engineering and Quantum Mechanics Meet – Using Computational Chemistry to Predict a Future for Molecular Manufacturing” – A*STAR – Institute of Materials Research and Engineering (IMRE) Workshop on Atom Technology and its Applications, Singapore, 10 June 2010.
Invited Lecture: Allis D.G. "I Want A New (Vitamin B12-Based Bioconjugate Approach To Deliver A) Drug" and "Single Atom Manipulation And The Chemistry Of Mechanosynthesis" – Syracuse University Project Advance Spring Meeting, Syracuse, NY, 27 April 2010 and Lubin House, New York City, NY, 13 May 2010.
Interview: “Syracuse University Partners With Serum Institute Of India To Develop Vaccines For Children” – Syracuse University Arts and Sciences Press Release, 2008.
Slidecast: Allis D.G. “Single-Atom Manipulation and the Chemistry of Mechanosynthesis” – NanoScienceWorks, Taylor & Francis Publishers (www.nanoscienceworks.org/slidecast), December, 2007.
Guest Essay: Allis D.G. “Exploring the Productive Nanosystems Roadmap” – Center for Responsible Nanotechnology Newsletter (crnano.org/essays07.htm), October, 2007.
Interview: “Solid-State Modeling of the Terahertz Spectrum of the Explosive HMX” – Accelrys case study (www.accelrys.com), August, 2006.
Interview: Olson S. “An Interview with Damian Gregory Allis” – for Nanotech.biz (www.nanotech.biz), November, 2005.
Interview: Caponi K.A. “Towards Computing Crystal Forms” – Access Magazine, National Center for Supercomputing Applications, Vo. 17, No. 1, Spring 2004.
Invited Lecture: Allis D.G. “Single Atom Manipulation and the Chemistry of Mechanosynthesis” – Productive Nanosystems: Launching the Technology Roadmap, Arlington, VA, USA 9-10 October 2007.
Invited Lecture: Allis D.G. “Chemical Origins of Solid-State Terahertz Spectra” – DIA/NGA Community Academic Summit, Williamsburg VA 11-13 June 2007.
Lecture: Allis D.G. “Novel Imaging and Spectroscopy Technologies – Terahertz Detector Device Deployment and Theory for Terahertz Biomolecular And Molecular Threat Agent Spectroscopy” – IC Postdoctoral Research Fellowship Colloquium, Chantilly, VA, 30 April – 3 May 2007.
Invited Lecture: Allis D.G. “Nanosystem Simulation and Design for Molecular Manufacturing” – Department of Mechanical and Aeronautical Engineering, Clarkson University, Potsdam, NY, 27 February 2007.
Keynote Lecture: Allis D.G. “Nanotechnology and Molecular Manufacturing” – Ibero-American Conference for University and College Presidents: Global Workforce Trends and Emerging Technologies, Advanced Technology Center ATC, Alamo Community College District, San Antonio, Texas, 18-20 September 2006.
Invited Lecture: Allis D.G. “Computational Chemistry for the Next 6 Months and 50 (or so) Years: Quantum Theory Applications in Homeland Security and Molecular Manufacturing” – Syracuse University Project Advance Spring Meeting, Syracuse, NY, 22 March 2006 and Lubin House, New York City, NY, 27 May 2006.
Lecture: Allis D.G. “The Design of Carbon Nanotube-Based Dative Structures from Supramolecular Principles” – Foresight Institute Tenth Conference on Nanotechnology, Bethesda, MD, 10-12 October 2002.
Invited Lecture: Allis D.G. “An Introduction to Computer Aided Chemistry and Nanomechanical Design Using CAChe” – Syracuse University Project Advance Spring Meeting, Lubin House, New York City, NY, 18-19 May 2000.
Selected Honors
NASA Solar System Ambassador (2014-), Director of Central Intelligence Postdoctoral Research Fellow (2005-2007), Marquis Who’s Who (in the World, in Science and Engineering, and in America), Foresight Institute Distinguished Student Award in Nanotechnology (2004), Syracuse University All-University Graduate Fellowship (1998-2001, three year appointment), Who's Who Among Students in America's Colleges and Universities (1998), Phi Beta Kappa (1998), Syracuse University Merck Index Award (1998), Golden Key National Honors Society (1996), Phi Eta Sigma (1995), Syracuse University Honors Program (1994-8), Syracuse University Dean’s Scholar (1994-8, all semesters), John Philip Sousa Award (Jamesville-DeWitt School District, 1994).
Graphics In-Print (Excluding Web Content)
Science Illustration. A History of Visual Knowledge from the 15th Century to Today (Contribution, pg. 414-5, 2022), Chemistry of Materials (Cover, Vol. 32, Iss. 5, 10 March 2020), Star Maps: History, Artistry, and Cartography, 3rd Ed. (Contribution, p. 461, 2019), Angewandte Chemie (Inside Cover, Vol. 55, Iss. 24, 6 June 2016), Journal of Physical Organic Chemistry (Cover, Vol. 27, Iss. 3, March 2014), ChemMedChem (Back Cover, April 2013), Future Medicinal Chemistry (Content, Vol. 5 No. 17, 2013), MedChemComm (Cover, Iss. 9, September 2012), NanoSonic Nanotechnology Coloring Book (Contribution, pg. 8, 2012), Journal Of Physical Chemistry A (Cover, Vol. 114, No. 44, November 2010), Molecular Biosystems (Inside Cover, Vol. 6, No. 9, September 2010), Journal of Organic Chemistry (Cover, Vol. 75, No. 7, April 2010), Clinical Chemistry (Cover, Vol. 54, No. 1, January 2008), ChemMedChem (Cover, Vol. 4, Iss. 3, March 2009), ChemMedChem (Cover, Vol. 2, Iss. 12, December 2007), Technology Roadmap for Productive Nanosystems (Content, 2008), The Future for Nanoscience and Nanotechnology, RSC and IOP (Content, 2008), Productive Nanosystems: Launching the Technology Roadmap (Cover, 2007), “Erlebnis Wissenschaft” Wiley-VCH Book Series (Content, 2007), Nanotechnologien fur die Optische Industrie, www.hessen-nanotech.de (Content, 2007), Großes Netzwerk für Kleine Teilchen Aerosolforschungin der GSF (Content, 2007), Accelrys Chemical Case Study (Content, 2006), Tennessee’s Business (Cover and Content, Vol. 15, 2006), Revista Latitude (Content, 2006), Nanoaventura, Museu Exploratorio de Ciencias de Campinas, Instituo Sangari, (Content, 2005).
Albums, Recordings, And Performance
The Methodist Bells, 2018 – “Esso”; Excelsior Cornet Band, 2006 – “Cheer Boys, Cheer!”; John Bartles, 2007 – “John Bartles Presents Topless and Bottomless”; Jolie Rickman, 1998 – “Sublime Detonation”; Tjaden, 1998 – “November Scrawl”; Syracuse Children’s Chorus (1987-1991)
Affiliations, Organizations, Professional Activities
Buffalo Astronomical Association (member, 2020-), The Association Of Lunar And Planetary Observers (member, 2019-), International Journal of High School Research (contributing editor, 2018), Astrofilo/Free Astronomy Magazine (contributing editor, contributing author 2018-), Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (reviewer, 2017-), Inorganica Chimica Acta (reviewer, 2017-), Crystal Growth and Design (reviewer, 2017-), Astronomical League (member-at-large, 2016-), Ying Tri Region Science & Engineering Fair (judge, 2013, 2014, 2015), CNY Observers & Observing (executive director, lecturer 2013-2020), Preservation Association of Central New York (member, webmaster 2013-2017), Astronomy Section: Rochester Academy of Sciences (member, 2013-), Syracuse Innovators Guild (member, 2013-2015), Union of Concerned Scientists (member, 2013-), Hacks/Hackers Syracuse (member, 2012-2015), Kopernik Observatory and Science Center/Kopernik Astronomical Society (member, 2011-), Chinese Optics Letters (Reviewer, 2011-), Journal of Molecular Structure (reviewer, 2010-), Materials Chemistry and Physics (reviewer, 2009-), Neutron Scattering Society Of America (member, 2009-), Lifeboat Foundation (nanotechnology and chemistry advisory board member, 2007-), International Society of Nanoscale Science, Computation, and Engineering (Member 2007-), Technology Alliance of Central New York (TACNY, organizational affiliate, member 2007-), Chemical Physics Letters (reviewer, 2007-), Technology Roadmap for Productive Nanosystems (contributing editor, contributing author, and working group member, 2005-2007), Inorganic Chemistry Communications (reviewer, 2005-), Molecular Engineering Research Institute (member, 2004-2008), Syracuse Astronomical Society (board of directors, 2003-2012 and president, 2007-2012), American Association for the Advancement of Science (member, 1997-), The Foresight Institute (member, 1997-), The Planetary Society (member, 1996-), American Chemical Society (member, 1995-).
PUBLICATIONS (Peer-Reviewed Only)
52. Dinca, S., Allis, D.G., Moskowitz, M., Sponsler, M.B., and Hudson, B.S. “Preparation of ordered polyacetylene by solid-state polymerization in nanoscale confinement.” Chemistry of Materials, 32 (2020), 5, 1769-1783. DOI:10.1021/acs.chemmater.9b03644, including Cover Art.
51. Hogg T., Moses M.S., and Allis D.G. “Evaluating the friction of rotary joints in molecular machines.” Molecular Systems Design & Engineering, 2 (2017) 3, 235-252. DOI:10.1039/C7ME00021A, arxiv.org/abs/1701.08202.
50. Henry K.E., Kerwood D.J., Allis D.G., Workinger J.L., Bonaccorso R.L., Holz G.G., Roth C.L., Zubieta J., and Doyle R.P. “Solution structure and constrained molecular dynamics study of vitamin B12 conjugates of the anorectic peptide PYY(3-36).” ChemMedChem, 11 (2016), 9, 1015-102, DOI:10.1002/cmdc.201600073, PDB Entry: 2NA5.
49. Bonnard G., Barrès A.-L., Danten, Y., Allis D.G., Mentré O., Tomerini D., Gatti C., Izgorodina E. I., Poizot P., and Frayret C. “Experimental and theoretical studies of tetramethoxy-p-benzoquinone: infrared spectra, structural and lithium insertion properties.” RSC Advances, 3 (2013), 19081-19096, DOI:10.1039/C3RA41974F.
48. Lashua A., Smith T., Hu H., Wei L., Allis D.G., Sponsler M., and Hudson B. “Commensurate Urea Inclusion Crystals with the Guest (E,E)-1,4-Diiodo-1,3-Butadiene.” Crystal Growth & Design, 13 (2013), 9, 3852-3855, DOI:10.1021/cg400980b.
47. Bonnard G., Barrès A-L., Mentré O., Allis D.G., Gatti C., Poizot P., and Frayret C. “The low-/room-temperature forms of the lithiated salt of 3,6-dihydroxy-2,5-dimethoxy-p-benzoquinone: a combined experimental and dispersion-corrected density functional study.” CrystEngComm, 15 (2013), 15, 2809-2821, (cover image), DOI:10.1039/C2CE26523K.
46. Hudson B.S. and Allis D.G. “Bond alternation in infinite periodic polyacetylene: Dynamical treatment of the anharmonic potential.” Journal of Molecular Structure, 1032 (2013) 78-82, DOI:10.1016/j.molstruc.2012.07.051.
45. Hudson B.S. and Allis D.G. “The Structure of [18]-annulene: Computed Raman Spectra, Zero-Point Level and Proton NMR Chemical Shifts.” Journal of Molecular Structure – Jaan Laane Honour Issue, 1023 (2012) 212–215, DOI:10.1016/j.molstruc.2012.05.016.
44. Clardy-James S., Allis D.G., Fairchild T.J., and Doyle R.P. “Examining the effects of vitamin B12 conjugation on the biological activity of insulin: A molecular dynamic and in vivo oral uptake investigation.” MedChemComm, 3 (2012), 1054-1058, DOI:10.1039/C2MD20040F.
43. Clardy S., Allis D.G., Fairchild T.J., and Doyle R. “Vitamin B12 in Drug Delivery: Breaking Through the Barriers to a B12 Bioconjugate Pharmaceutical.” Expert Opinion on Drug Delivery, 8, 1 (2011) 127-140, DOI:10.1517/17425247.2011.539200.
42. Allis D.G., Helfrich B., Freitas Jr., R. A., and Merkle R. C. “Analysis of Diamondoid Mechanosynthesis Tooltip Pathologies Generated via a Distributed Computing Approach.” Journal of Computational and Theoretical Nanoscience, 8 (2011) 1139-1161, DOI:10.1166/jctn.2011.1792.
41. Allis D.G., Fairchild T.J., and Doyle R. “The Binding of Vitamin B12 to Transcobalamin(II); Structural Considerations for Bioconjugate Design – a Molecular Dynamics Study.” Molecular Biosystems, 6 (2010) 1611-1618. DOI:10.1039/C003476B.
40. Buchanan W.D., Allis D.G., and Ruhlandt-Senge S. “Synthesis and Stabilization – Advances in Organoalkaline Earth Metal Chemistry.” Chemical Communications, 46 (2010) 4449-4465. DOI:10.1039/C002600J.
39. Hudson M.R., Allis D.G., and Hudson B.S. “The Vibrational Spectrum of Parabanic Acid by Inelastic Neutron Scattering Spectroscopy and Simulation by Solid-State DFT.” Journal of Physical Chemistry A, 114(10) (2010) 3630-3641. DOI:10.1021/jp9114095.
38. Hakey P.M., Allis D.G., Hudson M.R., Ouellette W., and Korter T.M. “Terahertz Spectroscopic Investigation of S-(+)-Ketamine Hydrochloride and Vibrational Assignment by Density Functional Theory.” Journal of Physical Chemistry A, 114(12) (2010) 4364-4374. DOI:10.1021/jp910861m.
37. Hakey P.M., Hudson M.R., Allis D.G., Ouellette W., and Korter T.M. “Examination of Phencyclidine Hydrochloride via Cryogenic Terahertz Spectroscopy, Solid-State Density Functional Theory, and X-Ray Diffraction.” Journal of Physical Chemistry A, 113(46) (2009) 13013-13022. DOI:10.1021/jp907083u.
36. Hudson M.R., Allis D.G., Ouellette W., and Hudson B.S. “Low-Temperature X-ray Structure Determination and Inelastic Neutron Scattering Spectroscopic Investigation of L-Alanine Alaninium Nitrate, a Homologue of a Ferroelectric Material.” Physical Chemistry Chemical Physics, 11(41) (2009) 9474-9483. DOI:10.1039/B905070A.
35. Motley T.L., Allis D.G., and Korter T.M. “Investigation of Crystalline 2-Pyridone Using Terahertz Spectroscopy and Solid-State Density Functional Theory.” Chemical Physics Letters 478(4-6) (2009) 166-171. DOI:10.1016/j.cplett.2009.07.078.
34. Hudson M.R., Allis D.G., Ouellette W., Hakey P.M., and Hudson B.S. “The Low-Temperature X-ray Structure, Raman and Inelastic Neutron Scattering Vibrational Spectroscopic Investigation of the Non-centrosymmetric Amino Acid Salt Glycine Lithium Sulfate.” Journal of Molecular Structure, 934(1-3) (2009) 138-144. DOI:10.1016/j.molstruc.2009.06.033.
33. Hakey P.M., Allis D.G., Hudson M.R., Ouellette W., and Korter T.M. “An Investigation of (1R,2S)-(-)-Ephedrine Using Solid-State Density Functional Theory and Cryogenic Terahertz Spectroscopy.” ChemPhysChem 10(14) (2009) 2434-2444. DOI:10.1002/cphc.200900293.
32. Hudson M.R., Allis D.G., and Hudson B.S. “The Inelastic Neutron Scattering Spectrum Of Nicotinic Acid And Its Assignment By Solid-State Density Functional Theory.” Chemical Physics Letters, 473 (1-3) (2009) 81-87. DOI:10.1016/j.cplett.2009.03.052.
31. Hakey P.M., Allis D.G., Ouellette W., and Korter T.M. “The Cryogenic Terahertz Spectrum Of (+)-Methamphetamine Hydrochloride And Assignment Using Solid-State Density Functional Theory.” Journal of Physical Chemistry A, 113(17) (2009) 5119–5127. DOI:10.1021/jp810255e.
30. Hakey P.M., Allis D.G., Hudson M.R., and Korter T.M. “Density Functional Dependence In The Theoretical Analysis Of The Terahertz Spectrum Of The Illicit Drug MDMA (Ecstasy).” IEEE Sensors Journal, 10(3) (2010) 478-484. DOI:10.1109/JSEN.2009.2038445.
29. Petrus A.K., Allis D.G., Smith R.P., Fairchild T.J., and Doyle R.P. “Exploring The Implications Of Vitamin B12 Conjugation To Insulin On Insulin Receptor Binding And Cellular Update.” ChemMedChem, 4(3) (2009) 421-426. DOI:10.1002/cmdc.200800346.
28. Rivera S., Allis D.G., and Hudson B.S. “Importance Of Vibrational Zero-Point Energy Contribution To The Relative Polymorph Energies Of Hydrogen-Bonded Species.” Crystal Growth and Design, 8(11) (2008) 3905–3907. DOI:10.1021/cg800524d.
27. Fedor A.M., Allis D.G., and Korter T.M. “The Terahertz Spectrum And Quantum Chemical Assignment Of 2,2’-Bithiophene In Cyclohexane.” Vibrational Spectroscopy, 49(2) (2009) 124-132. DOI:10.1016/j.vibspec.2008.06.001.
26. Allis D.G., Hakey P.M., and Korter T.M. “The Solid-State Terahertz Spectrum of MDMA (Ecstasy) – A Unique Test for Molecular Modeling Assignments.” Chemical Physics Letters, 463 (2008) 353-356. DOI:10.1016/j.cplett.2008.08.024.
25. O’Leary D.J., Allis D.G., Hudson B.S., James S., Morgera K.B., and Baldwin J.E. “Vicinal Deuterium Perturbations on Hydrogen NMR Chemical Shifts in Cyclohexanes.” Journal of the American Chemical Society, 130(41) (2008) 13659-13663. DOI:10.1021/ja802903a.
24. Allis D.G., Zeitler J.A., Taday P.F., and Korter T.M. “Theoretical Analysis of the Solid-State Terahertz Spectrum of the High Explosive RDX.” Chemical Physics Letters, 463 (2008) 84-89. DOI:10.1016/j.cplett.2008.08.014.
23. Armatas N.G., Allis D.G., Prosvirin A., Carnutu G., O’Connor C.J., Dunbar K., and Zubieta J. “Molybdophosphonate Clusters As Building Blocks In The Oxomolybdate-Organodiphosphonate/Cobalt(II)-Organoimine System: Structural Influences Of Secondary Metal Coordination Preferences And Diphosphonate Tether Lengths.” Inorganic Chemistry, 47 (2008) 3, 832 -854. DOI:10.1021/ic701573r.
22. Alexander J.S., Allis D.G., Teng W., and Ruhlandt-Senge K. “Alkali Metal Diphenylmethanides: Synthetic, Calculational and Structural Studies.” Chemistry – A European Journal, 13 (2007) 35, 9899-9911. DOI:10.1002/chem.200700763.
21. Allis D.G., Fedor A.M., Korter T.M., Bjarnason J.E., and Brown E.R. “Assignment Of The Lowest-Lying THz Absorption Signatures In Biotin And Lactose Monohydrate By Solid-State Density Functional Theory.” Chemical Physics Letters, 440 (2007) 203-209. DOI:10.1016/j.cplett.2007.04.032. Reprint in Journal of Intelligence Community Research and Development, 2007.
20. Freitas Jr. R.A., Allis D.G., and Merkle R. “Horizontal Ge-Substituted Polymantane-Based C2 Dimer Placement Tooltip Motifs for Diamond Mechanosynthesis.” Journal of Computational and Theoretical Nanoscience, 4 (2007) 433-442. DOI:10.1166/jctn.2007.2327.
19. Allis D.G. and Korter T.M. “Development Of Computational Methodologies for the Prediction And Analysis of Solid-State Terahertz Spectra.” International Journal of High Speed Electronics and Systems, 17(2) (2007) 193-212. DOI:10.1142/S0129156407004436. Reprint in Journal of Intelligence Community Research and Development, 2007.
18. Teng W., Allis D.G., and Ruhlandt-Senge K. “Synthetic, structural and theoretical investigations of alkali metal germanium hydrides – contact molecules and separated ions.” Chemistry – A European Journal, 13(4) (2006) 1309-1319. DOI:10.1002/chem.200601073.
17. Allis D.G. “Understanding the Chemical Origins of Terahertz Spectra.” Journal of Intelligence Community Research and Development. Includes reprints of Pubs. 15 and 18.
16. Allis D.G. and Korter T.M. “Theoretical Analysis of the Terahertz Spectrum of the High Explosive PETN.” Chemphyschem: A European Journal of Chemical Physics and Physical Chemistry, 7(11) (2006) 2398-408. DOI:10.1002/cphc.200600456.
15. Allis D.G., Prokhorova D.A., Fedor A.M., and Korter T.M. “First Principles Analysis of the Terahertz Spectrum of PETN.” Proceedings of SPIE-The International Society for Optical Engineering, 6212 (2006) (Terahertz for Military and Security Applications IV) 62120F/1-62120F/11. DOI:10.1117/12.665787.
14. James S., Maresca K.P., Allis D.G., Valliant J.F., Eckelman W., Babich J.W., and Zubieta J. “Extension Of The Single Amino Acid Chelate Concept (SAAC) To Bifunctional Biotin Analogues For Complexation Of The M(CO)3+1 Core (M = Tc And Re): Syntheses, Characterization, Biotinidase Stability And Avidin Binding.” Bioconjugate Chemistry, 17 (2006) 579-589. DOI:10.1021/bc050297w.
13. Allis D.G. and Hudson B.S. “The Inelastic Neutron Scattering Spectrum of Cs2[B12H12]: Reproduction of its Solid-State Vibrational Spectrum by Periodic DFT.” Journal of Physical Chemistry A, 110 (2006) 3744-3749. DOI:10.1021/jp055285m.
12. Allis D.G., Prokhorova D.A., and Korter T.M. “Solid-State Modeling of the Terahertz Spectrum of the High Explosive HMX.” Journal of Physical Chemistry A, 110 (2006) 1951-1959. DOI:10.1021/jp0554285.
11. Hudson B. S., Allis. D. G., Parker S. F., Ramirez-Cuesta, A. J., Hermanc, H., and Prinzbach, H. “Infrared, Raman and inelastic neutron scattering spectra of dodecahedrane: An Ih molecule in Th site symmetry.” Journal of Physical Chemistry A, 109 (2005) 3418 -3424. DOI:10.1021/jp0503213.
10. Allis D. G. and Drexler K. E. “Design and Analysis of a Molecular Tool for Carbon Transfer in Mechanosynthesis.” Journal of Computational and Theoretical Nanoscience, 2 (2005) 45-55. DOI:10.1166/jctn.2005.003.
9. Hudson B. S., Braden D. A., Allis D. G., Jenkins T., Baronov S., Middleton C., Withnall R., and Brown C. M. “The Crystalline Enol of 1,3-Cyclohexanedione and its Complex with Benzene: Vibrational Spectra, Simulation of Structure and Dynamics and Evidence for Cooperative Hydrogen Bonding.” Journal of Physical Chemistry A, 108 (2004) 7356-7363. DOI:10.1021/jp048613b.
8. Allis D.G., Kosmowski M.E., and Hudson B.S. “The Inelastic Neutron Scattering spectrum of H3B:NH3 and the Reproduction of Its Solid-State Features by Periodic DFT.” Journal of the American Chemical Society, 126(25) (2004) 7756-7757. DOI:10.1021/ja048215m.
7. Allis D.G., Burkholder E., and Zubieta J. “A New Octamolybdate: Observation of the theta-Isomer in [Fe(tpyprz)2]2[Mo8O26]3.7H2O. (tpyprz = tetra-2-pyridylpyrazine).” Polyhedron, 23(7) (2004) 1145-1152. DOI:10.1016/j.poly.2004.01.011.
6. Allis D.G., Prinzbach H., and Hudson B.S. “Inelastic Neutron Scattering Spectra of Pagodane: Experiment and DFT Calculations.” Chemical Physics Letters, 386 (2004) 356-363. DOI:10.1016/j.cplett.2004.01.076.
5. Allis D.G. and Hudson B.S. “Inelastic Neutron Scattering Spectra of NaBH4 and KBH4: Reproduction of Anion Mode Shifts via Periodic DFT.” Chemical Physics Letters, 385 (2004) 166-172 DOI:10.1016/j.cplett.2003.12.046.
4. Allis D.G., Rarig R.S., Burkholder E., and Zubieta J. “A Three-Dimensional Bimetallic Oxide Constructed from Octamolybdate Clusters and Copper-Ligand Cation Polymer Subunits. A Comment on the Stability of the Octamolybdate Isomers.” Journal of Molecular Structure, 688 (2004) 11-31. DOI:10.1016/j.molstruc.2003.08.027.
3. Alexander J.S., Allis D.G., Hudson B.S., and Ruhlandt-Senge K. “An Examination of Metal-Ligand Binding Modes in Rubidium Diphenylmethanide.” Journal of the American Chemical Society, 125(49) (2003) 15002-15003. DOI:10.1021/ja037201y.
2. Allis D.G. and Spencer J.T. “Polyhedral-Based Nonlinear Optical Materials. Part 2. Theoretical Investigation of Some New High Nonlinear Optical Response Compounds Involving Polyhedral Bridges with Charged Aromatic Donors and Acceptors.” Inorganic Chemistry, 40 (2001) 3373-3380. DOI:10.1021/ic0007761.
1. Allis D.G. and Spencer J.T. “Polyhedral-Based Nonlinear Optical Materials. Part 1. Theoretical Investigation of Some New High Nonlinear Optical Response Compounds Involving Carboranes and Charged Aromatic Donors and Acceptors.” Journal of Organometallic Chemistry, 614-615 (2000) 309-313. DOI:10.1016/S0022-328X(00)00589-1.
BOOKS AND CHAPTERS
6. Chapter: Allis D.G. and Korter T.M. “Development Of Computational Methodologies for the Prediction And Analysis of Solid-State Terahertz Spectra,” Selected Topics in Electronics and Systems – Vol. 46: Terahertz Science and Technology For Military and Security Applications, Woolard D.L., Jensen J.O., Hwu R.J., and Shur M.S. (Editors); World Scientific, 2007. DOI:10.1142/S0129156407004436.
5. Roadmap: Productive Nanosystems: A Technology Roadmap. Drexler K.E., Randall J., Corchnoy S., Kawczak A., Steve M.L. (Editors), Soreff J., Allis D.G., Von Ehr J. (Contributing Editors), Battelle Memorial Institute and Foresight Nanotech Institute, 2007. Contributions include: Synthetic Chemistry, Mechanosynthesis, and Design and Modeling. foresight.org/roadmaps/.
4. Chapter: Allis D.G. and Spencer J.T. “Nanostructural Architectures from Molecular Building Blocks,” CRC Handbook of Nanoscience, Engineering, and Technology, 2nd Edition, Goddard III W.A.; Lyshevski S.E.; Brenner D.W.; Iarfrate G.J. (Editors); Francis and Taylor Publishers, 2007. DOI:10.1201/9781420007848.
3. Book: Allis D.G. Computational Quantum Chemistry in Initial Designs and Final Analyses. Syracuse University, Syracuse, NY, USA, UMI No. DA3160378 (2004) 509 pp. Dissertation Abstracts Int., B 2005, 66(1), 293. surface.syr.edu/che_etd/64/.
2. Chapter: Allis D.G. and Spencer J.T. “Nanostructural Architectures from Molecular Building Blocks,” CRC Handbook of Nanoscience, Engineering, and Technology, Goddard III W.A.; Lyshevski S.E.; Brenner D.W.; Iarfrate G.J. (Editors); CRC Press, 2002. DOI:10.1201/9781420007848.
1. Chapter: Littger R.; Taylor J.; Rudd G.; Newlon A.; Allis D.G.; Kotiah S.; Spencer J.T. “Thermal, Photochemical, and Redox Reactions of Borane and Metallaborane Clusters with Applications to Molecular Electronics,” Contemporary Boron Chemistry; Davidson M.G.; Hughes A.K.; Marder T.B.; Wade K (Editors); Royal Society of Chemistry: Cambridge, 2000, 253, 67. DOI:10.1039/9781847550644-00067.
POSTERS AND ASSORTED PRESENTATIONS (* = Lead Author And/Or Presenter)
50. Dinca S., Allis D.G., and Sponsler M.B. “Single-crystal linear conjugated polyenes through light- induced inclusion polymerization: a possible organic superconductor.” American Physical Society (APS) March Meeting Abstracts, id.T00.031, Las Vegas, NV, United States, March 5-10, 2023.
49. Ruhlandt-Senge, K., Gillett-Kunnath, M., Allis, D., Woods, J., Takahashi, Y. “Tuning physical properties of heavy s-block compounds via non-covalent interactions.” 70AKRY, Abstracts of Papers, ACS Spring 2022, San Diego, CA, United States, March 20-24, 2022.
48. Clements A., Woods J.J., Lavin C.M., Cousins M.S., La K., Allis D.G., Gillett-Kunnath M.M., Ruhlandt-Senge K. “Closer look at the synthesis and characterization of alkaline earth metal heteroleptic tetraarylborate pyrazolates.” INOR-0310, Abstracts of Papers, 257th ACS National Meeting & Exposition, Orlando, FL, United States, March 31-April 4, 2019.
47. Vonden Steinen M., Wilson B., Takahashi Y., Ngo T., Allis D.G., Gillett-Kunnath M.M., Ruhlandt-Senge K. “Synthesis, characterization, and coordination studies of novel bismuth compounds.” INOR-0309, Abstracts of Papers, 257th ACS National Meeting & Exposition, Orlando, FL, United States, March 31-April 4, 2019.
46. Takahashi Y., Wilson B., O'Brien A., Allis D., Gillette-Kunnath M., Ruhlandt-Senge K. “Structure function analysis: The role of metal-fluorine interactions in controlling coordination chemistry in alkaline earth metal compounds.” INOR-319, Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018.
45. Goos A., Weissman D., Pichler J., Binder J., Allis D., Vonn Dyke S., Gillett-Kunnath M., Ruhlandt-Senge K. "Structural studies of alkaline earth and rare metal trans-azobenzene complexes.” Abstracts of Papers, INOR-313, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018.
44. Dinc? S., Allis D.G., Sponsler M.B., and Hudson B.S. “Raman studies of the photopolymerization of 1,4-diiodobuta-1,3-diene in crystalline urea inclusion compounds.” Abstracts of Papers, 253rd American Chemical Society National Meeting & Exposition, San Francisco, CA, United States, April 2-6, 2017.
43. Hudson B.S., Marshall M., Lopez V., Allis D.G. “Enol tautomeric polymorph of barbituric acid: The role of zero-point energy in stability.” PHYS-614, Abstracts of Papers, 251st American Chemical Society National Meeting & Exposition, San Diego, CA, United States, March 13-17, 2016.
42. Dinc? S., Allis D.G., Sponsler M.B., and Hudson B.S. “Raman and infrared absorption studies of the photopolymerization of 1,4-diiodobuta-1,3-diene in crystalline urea inclusion complex” PHYS-147, Abstracts of Papers, 250th American Chemical Society National Meeting & Exposition, Boston, MA, United States, August 16-20, 2015.
41. Lavin C.M., Goos A.G., Allis D.G. and Ruhlandt-Senge K. “Competition between ligation and solvation in heavy alkaline earth metal tetraarylborates.” INOR-657, Abstracts of Papers, 250th American Chemical Society National Meeting & Exposition, Boston, MA, United States, August 16-20, 2015.
40. Lavin C.M., Goos A.G., Allis D.G. and Ruhlandt-Senge K. “Competition between ligation and solvation in heavy alkaline earth metal tetraarylborates.” NERM-190, Abstracts, 40th Northeast Regional Meeting of the American Chemical Society, Ithaca, NY, United States, June 10-13, 2015.
39. Dinc? S.A., Allis D.G., Lashua A.F., Sponsler M.B., and Hudson B.S. “Insulated polyacetylene chains in an inclusion complex by photopolymerization.” Materials Research Society Proceedings, Volume 1799 (Crystal Engineering), January 2015, pp. 7 – 12. DOI: 10.1557/opl.2015.486
38. Xiao Y., Mehrotra K.G., Allis D.G., and Borer P.N. “A fast sorting algorithm for aptamer identification using deep sequencing.” Advances in Social Networks Analysis and Mining (ASONAM), 2014 IEEE/ACM International Conference, August 17-20, 2014. DOI:10.1109/ASONAM.2014.6921671.
37. Lavin C.M., Allis D.G., and Ruhlandt-Senge, K. “Role of weak interactions in the coordination chemistry of heavy alkaline earth MOCVD precursors: A theoretical study.” NERM-37, Abstracts, 38th Northeast Regional Meeting of the American Chemical Society, Rochester, NY, USA, Sept. 30-Oct. 3, 2012.
36. Lashua A.F., Dinc? S.A., Smith T.M., Allis D.G., Hudson B.S., and Sponsler M.B. “Isolated polyacetylene in an inclusion complex: Synthesis, methodology, and theory.” POLY-325, Abstracts of Papers, 246th American Chemical Society National Meeting & Exposition, Indianapolis, IN, USA, September 8-12, 2013.
35. Hudson B.S. and Allis D.G. “[18]-Annulene: Zero point level average structure and NMR spectrum.” PHYS-457, Abstracts of Papers, 244th American Chemical Society National Meeting & Exposition, Philadelphia, PA, USA, August 19-23, 2012.
34. Lashua A.F., Allis D., Crill J., Dinc? S., Sponsler M., and Hudson B.S. “Isolated polyacetylene in an inclusion complex: Exploration of synthetic methods.” PHYS-489, Abstracts of Papers, 244th American Chemical Society National Meeting & Exposition, Philadelphia, PA, USA, August 19-23, 2012.
33. Hudson B.S., Rivera S.A., Hudson M.R., and Allis D.G. “Free energy simulation of molecular crystal thermodynamics.” ORGN-483, Pacifichem 2010, International Chemical Congress of Pacific Basin Societies, Honolulu, HI, USA, December 15-20, 2010.
32. Hudson B.S., Allis D.G., Hudson M.R., and Rivera S.A. “Periodic lattice DFT calculations of inelastic neutron spectra – applications in structure and energetics in molecular crystals.” PTC-592, Pacifichem 2010, International Chemical Congress of Pacific Basin Societies, Honolulu, HI, USA, December 15-20, 2010.
31. Hudson M.R., Allis D.G., and Hudson B.S. “INS vibrational spectroscopy of parabanic and picolinic acid: Hydrogen-bonding in the solid-state.“ PHYS-412, Abstracts of Papers, 239th American Chemical Society National Meeting, San Francisco, CA, USA, March 21-25, 2010.
30. Rivera S.A., Allis D.G., and Hudson B.S. “Lattice contraction stabilizes a neutral-to-ionic change in 4-methylpyridine:pentachlorophenol.” PHYS-579, Abstracts of Papers, 239th American Chemical Society National Meeting, San Francisco, CA, USA, March 21-25, 2010.
29. Hudson B.S. and Allis D.G. “Peierls' instability of polyacetylene: Calculations on inadequacy as a mechanism of dimerization.” PHYS-488, Abstracts of Papers, 239th American Chemical Society National Meeting, San Francisco, CA, USA, March 21-25, 2010.
28. Hakey P.M., Allis D.G., Hudson M.R., Ouellette, W., and Korter T.M. “Investigation of biologically active compounds via terahertz spectroscopy.” PHYS-528, Abstracts of Papers, 238th American Chemical Society National Meeting, Washington, DC, USA, August 16-20, 2009.
27. Hudson M.R., Allis D.G., Ouellette W., and Hudson B.S. “X-ray structure determination and vibrational spectroscopic investigation of L-alanine alaninium nitrate and ferroelectric triglycine sulfate.” PHYS-574, Abstracts of Papers, 238th American Chemical Society National Meeting, Washington, DC, USA, August 16-20, 2009.
26. Hudson B., Allis D.G., Baldwin J., James S., Morgera K., and O’Leary D. “Computation of deuterium isotope effects on proton chemical shift for hydrocarbons.” NERM-177, Abstracts, 35th Northeast Regional Meeting of the American Chemical Society, Burlington, VT, USA, June 29-July 2, 2008.
25. Hakey P.M., Allis D.G., Hudson M.R., and Korter T.M. “Cryogenic terahertz spectroscopy and solid-state modeling of illicit drugs.” PHYS-430, Abstracts of Papers, 236th American Chemical Society National Meeting, Philadelphia, PA, USA, August 17-21, 2008.
24. Rivera S.A., Allis D.G., and Hudson B.S. “Importance of vibrational zero-point energy to relative polymorph energies for hydrogen bonded species.” PHYS-474, Abstracts of Papers, 236th American Chemical Society National Meeting, Philadelphia, PA, United States, August 17-21, 2008.
23. Rivera S.A., Allis D.G., and Hudson B.S. “Importance of vibrational zero-point energy to relative polymorph energies for hydrogen bonded species.” NERM-176, Abstracts, 35th Northeast Regional Meeting of the American Chemical Society, Burlington, VT, USA, June 29-July 2, 2008.
*22. Sims M., Smith B., Helfrich B., Sathaye N., Messick E., Moore T., Fish R., Rajagopalan M., Rotkiewicz P., Hendricks D., Drexler K.E., and Allis D.G. “NanoEngineer-1 – A CAD-based molecular modeling program for structural DNA nanotechnology.” Foundations of Nanoscience 2008 (FNANO08), Snowbird, UT, USA, April 22-25, 2008.
*21. Allis D.G. and Korter T.M. “Understanding the chemical origins of terahertz spectra.” Intelligence Community Postdoctoral Research Fellowship Colloquium, Washington, DC, USA, April 17-19, 2006.
20. Teng W., Allis D.G., and Ruhlandt-Senge K. “Syntheses and structures of the first heavy alkali metal tris(trimethylsilyl)germanides and heavy alkali metal germyls – contact molecules and separated ions.” NRM-233, Abstracts, 34th Northeast Regional Meeting of the American Chemical Society, Binghamton, NY, USA, October 5-7, 2006.
*19. Allis D.G. and Drexler K.E. “Molecular tool designs and theoretical analyses for single atom mechanosynthesis.” Foresight Institute 13th Conference on Molecular Nanotechnology, San Francisco, CA, USA, October 23-27, 2005.
*18. Allis D.G. and Hudson B.S. “The inelastic neutron scattering spectra of Cs2[B12H12] and K2[B12H12].” PHYS-324, Abstract of Papers, 230th American Chemical Society National Meeting, Washington, D.C., USA, August 28 – Sept. 1, 2005.
17. Hudson B.S., Braden D., Allis D.G., Verdal N., Hu H., and Jenkins T.A. “Short, strong, symmetric hydrogen bonds: Vibrational inelastic neutron scattering studies.” Abstracts of Papers, 229th American Chemical Society National Meeting, San Diego, CA, USA, March 13-17, 2005.
16. Hudson B.S., Allis D.G., Parker S.F., Ramirez-Cuesta, A.J., Herman H., and Prinzbach, H. “The infrared, Raman and inelastic neutron scattering spectra of dodecahedrane: An Ih molecule in Th site symmetry.” PHYS-355, Abstracts of Papers, 229th American Chemical Society National Meeting, San Diego, CA, USA, March 13-17, 2005.
*15. Allis D.G., Braden D., Jenkins T.A., Baronov S., Middleton C., Withnall R., Brown C.M., Lan Y., and Hudson B.S. “Crystalline 1,3-cyclohexanedione and its complex with benzene: Vibrational spectra, simulation of structure and dynamics and evidence for cooperative hydrogen bonding.” PHYS-555, Abstracts of Papers, 228th American Chemical Society National Meeting, Philadelphia, PA, USA, August 22-26, 2004.
14. Hudson B.S., Jenkins T.A., Hu H., Allis D.G., and Verdal N. “Vibrational inelastic neutron scattering studies of short, strong, symmetric hydrogen bonds.” PHYS-595, Abstracts of Papers, 228th American Chemical Society National Meeting, Philadelphia, PA, USA, August 22-26, 2004.
13. Hudson B.S., Allis D.G., Parker S.F., Yildirim T., Braden D.A., Herman H., and Prinzbach H. “Dodecahedrane: An INS test of solid-state DFT methods.” WP23a, American Conference on Neutron Scattering, NIST Center for Neutron Research, College Park, MD, USA, June 6-10, 2004.
12. Ruhlandt-Senge K., Alexander J.S., Allis D., and Hudson B.S. “Alkali metal diphenylmethanides: A synthetic, structural, and computational study.” INOR-710, Abstracts of Papers, 227th American Chemical Society National Meeting, Anaheim, CA, USA, March 28-April 1, 2004.
11. Baker E., Ruhlandt-Senge K., Alexander J.S., Hope H., Allis D.G., Braden D., Green D., Englich U., and Hudson B.S. “Examinations into alkaline earth metal acetylides.” INOR-718, Abstracts of Papers, 227th American Chemical Society National Meeting, Anaheim, CA, United States, March 28-April 1, 2004.
10. Baker E., Ruhlandt-Senge K., Alexander J.S., Hope H., Allis D.G., Braden D., Green D., Englich U., and Hudson B.S. “Examinations into alkaline earth metal acetylides.” GEN-073, GEN-165, Abstracts, 32nd Northeast Regional Meeting of the American Chemical Society, Rochester, NY, USA, October 31-November 3, 2004.
9. Ciezak J.A., Hudson B.S., Jenkins T.A., and Allis D. “Inelastic neutron spectroscopy of organic hydrocarbons.” PHYS-439, Abstracts of Papers, 225th American Chemical Society National Meeting, New Orleans, LA, USA, March 23-27, 2003.
*8. Allis D., Newlon A., Taylor J., and Spencer J.T. “New classes of cluster-based high-nonlinear optical response compounds.” INOR-617, Abstracts of Papers, 224th American Chemical Society National Meeting, Boston, MA, USA, August 18-22, 2002.
*7. Allis D.G., Middleton C., Braden D., Parker S.F., and Hudson B.S. “Solid-state DFT methods and the property prediction of high-symmetry molecular crystals.” Gordon Research Conference, Vibrational Spectroscopy, Salve Regina University, Providence, RI, USA, July 28-August 2, 2002.
*6. Allis D.G. and Spencer J.T. “The use of polyhedral materials in molecular electronics and nanostructural applications.” Foresight Institute Eighth Conference on Nanotechnology, Bethesda, MD, USA, November 3-5, 2000.
*5. Allis D.G. and Spencer J.T. “New classes of large nonlinear optical response compounds based upon polyhedral structural units.” Boron USA (BUSA) VII, University of Pittsburgh, Pittsburgh, PA, USA, June 7-10, 2000.
*4. Allis D.G. and Spencer J.T. “The use of polyhedral materials in molecular electronics and nanostructural applications.” Boron USA (BUSA) VII, University of Pittsburgh, Pittsburgh, PA, USA, June 7-10, 2000.
*3. Allis D.G., Taylor J., Rudd G., and Spencer J.T. “Semiempirical and molecular mechanics calculations of polyhedral materials in nanostructures.” Foresight Institute Seventh Conference on Nanotechnology, Santa Clara, CA, USA, October 15-17, 1999.
*2. Allis D.G., Taylor J., Rudd G., and Spencer J.T. “The use of polyhedral materials in molecular electronic and nanostructural applications.” IMEBORON X, Durham University, Grey's College, Durham, UK, July 11-15, 1999.
*1. Allis D.G., Goodisman J.S., and Spencer J.T. “Hartree-Fock and density functional theoretical considerations of the thermal and photochemical pathways in metallanonaborane cluster complexes.” Boron USA (BUSA) VI, The University of Georgia, Athens, GA, USA, May 14-16, 1998.
An additional, incomplete list of all presentations (including those as an associated author but non-presenter that I am aware of being on) can be found at www.somewhereville.com.
PATENTS
CA3034215, Improved systems and methods for mechanosynthesis, 2023.
US11708384B2, Systems and methods for mechanosynthesis, 2023.
CA3158948, Improved systems and methods for mechanosynthesis, 2023.
US11592463B2, Systems and methods for mechanosynthesis, 2023.
US20220106338A1, Systems and methods for mechanosynthesis including the use of modular tips and tips bonded to a surface, 2022.
US20210403322A1, Systems and methods for mechanosynthesis, 2021.
EP3541740B1, Verbesserte systeme und verfahren für mechanosynthese; Systèmes et procédés améliorés pour la mécanosynthèse, 2021.
US11148944B2, Systems and methods for mechanosynthesis, 2021.
US20210317148A1, Systems and methods for Mechanosynthesis, 2021.
EP3541740B1, Improved systems and methods for mechanosynthesis, 2021.
US20190250187A1, Build sequences for mechanosynthesis, 2019.
EP3541740A1, Improved systems and methods for mechanosynthesis, 2019.
WO2018093728A1, Systems and methods for mechanosynthesis, 2018.
US6500363B1, Classes of high linear and nonlinear response compounds, 2002.
WO2001027028A1, Design and fabrication of molecular nanosystems, 2001.
AU7999100A, Design and fabrication of molecular nanosystems, 2001.
US6531107B1, Design and fabrication of molecular nanosystems, 2001.
AU5637600A, New classes of high linear and nonlinear response compounds, 2001.
WO2001000631A1, New classes of high linear and nonlinear response compounds, 2001.
SOFTWARE
Publications with, currently using, or otherwise familiar with: Gaussian98/03/09/16, Q-Chem 5.N/6.N, GAMESS-US and PC-GAMESS, Firefly, NWChem, Crystal06/09/14, DMol3, CASTEP, Abinit, CP2K, MOPAC, GROMACS, NAMD, AMBER, LAMMPS, NanoEngineer-1, aClimax, XTB, DFTB+, associated MPI versions and numerous QC/MD GUIs.
SUPPLEMENTAL INFORMATION
A more extensive CV and research description, including the ever-popular nanotechnology gallery, can be found at www.somewhereville.com.
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