Damian Gregory Allis is a quantum chemist who has extensively contributed to the field of molecular nanotechnology. Between 1998 and 2004 he attended Syracuse University, where he obtained a PhD in quantum chemistry.
Damian Allis graduated Jamesville-Dewitt High School in 1994. Between that year and 1998 he attended Syracuse University, where he earned a B.S. in Chemistry, and a PhD in Quantum Chemistry in 2004. Between 2002 and 2008 he worked as a consultant in drug design at Molecular Insight Pharmaceuticals. From January 2005 to October 2008, around the time Nanorex closed down, he worked as a senior scientist for its Board of Advisors. Also from 2005 to 2007 he also worked as a research fellow for the ICPRFP. He was a project developer, scientific advisor, and content provider for the NanoHive@Home project.
He currently holds the position of Research Assistant Professor at Syracuse University (Since 2007) and has been a collaborator to the Nanofactory Collaboration since 2008.
- Solid-State Modeling of the Terahertz Spectrum of the Explosive HMX, an Accelrys case study about the use of DMol3 for simulating THz spectra, August, 2006.
- Interview with Damian Gregory Allis, opinions on the state of nanotech by someone with their elbow firmly on the pulse of the field. Interview brought to you by Sander Olson for Nanotech.biz, November, 2005.
- Towards Computing Crystal Forms, Access Magazine, Vol. 17, No. 1, Spring 2004. Cover story by Katherine A. Caponi. A brief discussion concerning the use of the NCSA facilities for solid-state theory and simulation, specifically geared towards the inelastic neutron scattering simulations of either rigid molecule or hydrogen-bonded molecular crystals.
- Allis D.G. Single-Atom Manipulation And The Chemistry Of Mechanosynthesis, additional information on my site, the slides and text from the slidecast, and the www.nanoscienceworks.org slidecast page.
Dr. Allis holds two US patents: Patent number US6500363 (With James T. Spencer); "New Classes Of High Linear And Nonlinear Response Compounds", was filed in 2000 and issued in 2002, while US6531107 (With James T. Spencer); "Design And Fabrication Of Molecular Nanosystems" was filed in 2000 and issued in 2003.
Books & Book Chapters
- (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.
- (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.
- (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); Taylor and Francis Group, 2007.
- (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.
- (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.
- (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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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, accepted.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.2007.004.
- 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.
- 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.
- Allis D.G. “Understanding the Chemical Origins of Terahertz Spectra.” Journal of Intelligence Community Research and Development. Includes reprints of Pubs. 15 and 18.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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, June 10, 2010.
- Invited Lecture: Allis D.G. Vitamin B12 As A Tool For Drug Delivery; Building Atom-By-Atom – Computational Studies In Mechanosynthesis. Syracuse University Project Advance Spring Meeting, Syracuse, NY, April 27, 2010 and Lubin House, New York City, NY, May 13, 2010.
- Invited Lecture: Allis D.G. Single Atom Manipulation and the Chemistry of Mechanosynthesis. Productive Nanosystems: Launching the Technology Roadmap, Arlington, VA USA October 9-10, 2007.
- Invited Lecture: Allis, D.G. Chemical Origins of Solid-State Terahertz Spectra. DIA/NGA Community Academic Summit, Williamsburg VA June 11-13, 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, April 30 – May 3, 2007.
- Invited Lecture: Allis, D.G. Nanosystem Simulation and Design for Molecular Manufacturing. Department of Mechanical and Aeronautical Engineering, Clarkson University, Potsdam, NY, February 27, 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 September 18-20, 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, March 22, 2006 and Lubin House, New York City, NY, May 27, 2006.
- Lecture: Allis, D.G. and Spencer, J.T. The Design of Carbon Nanotube-Based Dative Structures from Supramolecular Principles. Foresight Institute Tenth Conference on Nanotechnology, Bethesda, MD, October 10-12, 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, May 18-19, 2000.
- Journal Of Physical Chemistry A, 25 November 2010, Volume 114.
- Molecular Biosystems, August 2010, Volume 6.
- Clinical Chemistry, April 2010, Volume 56, Issue 4.
- Journal of Organic Chemistry, May 7, 2010.
Volume 75, Issue 9 (background by Anne Baldwin). Hi-Res version.
- ChemMedChem, Volume 4 Issue 3 , Pages 297 – 479 (March 16, 2009), Information.
- ChemMedChem, Volume 2 Issue 12 , Pages 1661 – 1838 (December 10, 2007), Information.
- Business & Economic Research Center | Jones College of Business | Middle Tennessee State University Tennessee’s Business, Vol. 15 No. 3 (April, 2006), PDF, Information.