Robert Q. Topper, Ph.D.
Affiliations: | Chemistry | The Cooper Union for the Advancement of Science and Art, New York, NY |
Area:
theoretical chemistry and physics, computational chemistryWebsite:
https://engfac.cooper.edu/topperGoogle:
"Robert Q. Topper"Bio:
1981-1986 Florida State University
1986-1990 Yale University
1990-1992 University of Minnesota
1992-1993 University of Rhode Island
1993-2003 Cooper Union
2003-2009 Monmouth University
2009-present Cooper Union
Mean distance: 8.4 | S | N | B | C | P |
Parents
Sign in to add mentor| Robley J. Light | research assistant | 1981-1982 | Florida State | |
| Jack Saltiel | research assistant | 1984-1985 | Florida State | |
| DeLos F. DeTar | research assistant | 1983-1986 | Florida State | |
| Nelson H. De Leon | grad student | 1986-1990 | Yale | |
| (The dynamics and kinetics of reactive motion between multiple geometric conformers) | ||||
| Donald G. Truhlar | post-doc | 1990-1992 | UMN | |
| David L. Freeman | post-doc | 1992-1993 | University of Rhode Island | |
Children
Sign in to add traineeCollaborators
Sign in to add collaborator| Niny Z. Rao | collaborator | Thomas Jefferson | |
| David L. Freeman | collaborator | 1991- | University of Rhode Island |
| Mark E. Tuckerman | collaborator | 2017- | NYU |
| Ruben M. Savizky | collaborator | 2021- | The Cooper Union |
| C. Clay Marston | collaborator | 1988-1989 | Yale |
| Manish A. Mehta | collaborator | 1988-1990 | Yale |
| Yi-Ping Liu | collaborator | 1990-1992 | UMN |
| Gregory Tawa | collaborator | 1990-1992 | UMN |
| Song Ling | collaborator | 2008-2009 | Monmouth University |
| John L. Bove | collaborator | 1993-2022 | The Cooper Union |
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Publications
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| Lomboy AJV, Topper RQ. (2021) Nonuniform Proton Transfer and Strong Hydrogen Bonding within Cation, Anion, and Neutral Clusters of Ammonia and Hydrogen Fluoride. The Journal of Physical Chemistry. A |
| Cendagorta JR, Tolpin J, Schneider E, et al. (2020) Comparison of the Performance of Machine Learning Models in Representing High-Dimensional Free Energy Surfaces and Generating Observables. The Journal of Physical Chemistry. B |
| Schneider E, Dai L, Topper RQ, et al. (2017) Stochastic Neural Network Approach for Learning High-Dimensional Free Energy Surfaces. Physical Review Letters. 119: 150601 |
| Biswakarma JJ, Ciocoi V, Topper RQ. (2016) Energetics, Thermodynamics and Hydrogen Bonding Diversity in Ammonium Halide Clusters. The Journal of Physical Chemistry. A |
| Topper RQ, Feldmann WV, Markus IM, et al. (2011) Simulated annealing and density functional theory calculations of structural and energetic properties of the ammonium chloride clusters (NH4Cl)n, (NH4+)(NH4Cl)n, and (Cl-)(NH4Cl)n, n = 1-13. The Journal of Physical Chemistry. A. 115: 10423-32 |
| Ling S, Topper RQ. (2010) On the zero point energy difficulty of quasiclassical trajectory simulations Handbook of Computational Chemistry Research. 467-476 |
| Topper RQ. (2007) Atomistic Approaches in Modern Biology: From Quantum Chemistry to Molecular Simulations. Topics in Current Chemistry, Volume 268 Edited by Markus Reiher (ETH Zürich). Springer: Berlin, Heidelberg, New York. 2007. xii + 362 pp. $329.00. ISBN 978-3-540-38082-5. Journal of the American Chemical Society. 129: 9830-9831 |
| Topper RQ, Sun G. (2007) Proceedings of the 10th Electronic Computational Chemistry Conference Theoretical Chemistry Accounts. 117: 183 |
| Isgro TA, Mathew N, Topper RQ. (2004) Structural characterization of N-acetyl-2-aminofluorene (AAF) adducts to guanine and deoxyguanosine via a molecular mechanics, semi-empirical, and density functional theory cascade Journal of Molecular Structure: Theochem. 710: 31-43 |
| Topper RQ, Dmitrenko O. (2004) Editorial: Proceedings of the 9 th Electronic Computational Chemistry Conference International Journal of Molecular Sciences. 5: 35-36 |