Dr. Topper works in the area of physical chemistry. His current interests include inorganic nanoparticles found in the environment, and structural changes in DNA caused by chemically-induced damage by environmental carcinogens (polyaromatic hydrocarbons and aromatic amines). He is also interested in the chemistry of the chalcogens (sulfur, selenium and tellurium) and in nanomaterials formed from elements at the metal/metalloid interface (arsenic, antimony and especially bismuth).
He earned a Bachelor of Science degree in Physics and Chemistry from Florida State University and a Ph.D. in Physical Chemistry from Yale University. His thesis focused on "chaos theory" (nonlinear dynamics), reaction rate theory, and molecular dynamics simulations. He then worked for two years as a postdoctoral researcher at the University of Minnesota with Donald Truhlar and for one year at the University of Rhode Island with David Freeman before joining the Cooper Union in 1993. Dr. Topper has also chaired the Department of Chemistry, Medical Technology and Physics at Monmouth University. He continues to extensively use Monte Carlo and molecular dynamics methods in his research, which has included many undergraduate, graduate and high school students as colleagues and co-authors. His work has been published in such journals as the Journal of Physical Chemistry, Reviews in Computational Chemistry, the Journal of Chemical Physics, and Advances in Chemical Physics. He currently serves on the Editorial Board of the International Journal of Molecular Sciences and has contributed reviews
to the Journal of the American Chemical Society.
At Cooper Union, Dr. Topper teaches a variety of chemistry courses and directs engineering students in all majors in research. He also coordinates the freshman general chemistry laboratory course and teaches freshman, junior, senior and graduate-level courses in general, physical, and inorganic chemistry.
Education:
Ph.D. Physical Chemistry, 1990
Yale University
The Dynamics and Kinetics of Reactive Motion Between Multiple Geometric Conformers. Advisor: N. De Leon (1990).
M.S., M.Phil. Chemistry, 1989
Yale University
B.S. Physics and Chemistry
Florida State University (1986); Honors in Liberal Arts (1982).
Professional Emplyoment Summary:
The Cooper Union for the Advancement of Science and Art
Professor of Chemistry
07/2009 – Present
Monmouth University, Department of Chemistry
Chair and Associate Professor Medical Technology and Physics
2003 – 2009
The Cooper Union for the Advancement of Science and Art
Associate Professor of Chemistry
1999 – 2003
Assistant Professor of Chemistry
1993 – 1999
University of Rhode Island
Postdoctoral Research Associate, Department of Chemistry.
1992 – 1993
University of Minnesota
Postdoctoral Research Fellow, Department of Chemistry and Minnesota Supercomputer Institute
1990 – 1992
Yale University
Graduate Teaching Assistant, Department of Chemistry
1986 – 1990
Florida State University and Tallahassee Community College
Instructor, Tutor and Computer-Aided Instruction Coordinator, Department of Mathematics
1983 – 1986
Florida State University
Research Assistant, Department of Chemistry
1983 – 1986
Reseach Interests:
- Nanoclusters, disordered materials and inorganic chemistry. Computational prediction of thermodynamic, spectral and structural properties of nanoclusters, molten materials and disordered solids; order-disorder phase transitions in inorganic solids; chemistry of sulfides and selenides.
- Computational toxicology. Fundamental investigations of intramolecular distortions caused by chemical modification of DNA by carcinogens and mutagens.
- Algorithms for high-performance scientific computing. Stochastic, directed and hybrid methods for global optimizations of complex molecular systems. Exhaustive search–and–explore techniques for thermally significant structures.
- Reaction rate theory and semiclassical dynamics. Quantum-dynamical corrections to molecular dynamics calculations.
- Extreme-temperature chemical physics. First principles Feynman path-integral Monte Carlo prediction of thermodynamic properties of ultrahot vapors at temperatures encountered in combustion, sonochemistry and the heliosphere. Isotope exchange equilibria and dissociation thermodynamics at extreme temperatures.
- Internet resources for scientists and engineers. Collaborative means for sharing and dissemination of research data, information, and methods through the Internet.
Articles, Book Chapters and Reviews: (*=undergraduate coauthor, **=high school student coauthor)
- R.Q. Topper, W. V. Feldmann*, I. Markus*, D. Bergin*, and P.R. Sweeney*, 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, Journal of Physical Chemistry A, 115(38), pp. 10423-10432 (2011).
- S. Ling and R.Q. Topper, invited book chapter, On the zero point energy difficulty of quasiclassical trajectory simulations, in Handbook of Computational Chemistry Research, C. T. Collett and C. D. Robson, Eds., Nova Science Publishers, Hauppauge, NY, pp. 467-476 (2010). ISBN: 978-1-60741-047-8 .
- R.Q. Topper, invited book review of “Atomistic Approaches in Modern Biology: From Quantum Chemistry to Molecular Simulations. Topics in Current Chemistry, Volume 268,” Journal of the American Chemical Society, 129(31), pp 9830 – 9831 (2007).
- T.A. Isgro,* N. Mathew** and R.Q. Topper, Structural characterization of N-acetyl-2-aminofluorene adducts to guanine and deoxyguanosine via a molecular mechanics, semi-empirical and density-functional theory cascade method, Journal of Molecular Structure (THEOCHEM) 710, pp.31-43 (2004).
- R.Q. Topper, D.L. Freeman, D. Bergin* and K. LaMarche*, Computational techniques and strategies for Monte Carlo thermodynamic calculations with applications to nanoclusters, invited book chapter, Reviews in Computational Chemistry, Vol. 19, pp. 1-41, K.B. Lipkowitz, R. Larter and T.R. Cundari, Eds., Wiley-VCH/John Wiley and Sons, New York (2003). ISBN 0-471-23585-7.
- R.Q. Topper, K. Chung*, C. Boelke*, D. Louie*, J.S. Kang*, R. Hannan*, T. Kiang* and L.H. Chan*, Computational structural determination and energy landscape analysis of the hepatic carcinogen 2-(acetylamino)fluorene, Theoretical Chemistry Accounts 109/4, 233 (2003).
- R.Q. Topper, invited book review of “Reviews in Computational Chemistry, Vol. 13,” Journal of the American Chemical Society, 122(19), 4845 (2000).
- J. Kritzer*, A. Deaconescu*, J. de la Parra Jr.*, D. Coluccio*, S. Mikhail* and R.Q. Topper, Benchmarking potential energy models against bulk properties for simulations of bismuth clusters, Internet Journal of Chemistry 3, 12 (2000).
- R.Q. Topper, Adaptive path-integral Monte Carlo methods for accurate computation of molecular thermodynamic properties, invited book chapter, Monte Carlo Methods in Chemical Physics, Advances in Chemical Physics 105, Chapter 5, pp. 117-170, D. Ferguson, I. Siepmann, and D.G. Truhlar, Eds., John Wiley & Sons, Inc., New York (1999).
- R.Q. Topper, invited book review of “Mathematica Computer Programs for Physical Chemistry,” Theoretical Chemistry Accounts, 101, 439 (1999).
- F.M. Torres*, E. Agichtein*, L. Grinberg*, G. Yu*, and R.Q. Topper, A note on the application of the “Boltzmann simplex”-simulated annealing algorithm to global optimizations of argon and water clusters, Journal of Molecular Structure (THEOCHEM) 419, 85 (1997).
- R.Q. Topper, Visualizing molecular phase space: Non–statistical effects in reaction dynamics, invited article, in Reviews in Computational Chemistry 10, pp. 101-176, K.B. Lipkowitz and D.B. Boyd, Eds., VCH Publishers, New York (1997).
- A. Matro, D.L. Freeman, and R.Q. Topper, Computational study of the structures and thermodynamic properties of ammonium chloride clusters using a parallel J-walking approach, Journal of Chemical Physics 104, 8690 (1996).
- R.Q. Topper, invited book review, "Quantum Mechanics Simulations: Consortium for Upper-level Physics Software by J.R Hiller, I.D. Johnston and D.F. Styer,” Computer Physics Communications, 94,272 (1995).
- R.Q. Topper and D.L. Freeman, Monte Carlo studies of the orientational order-disorder phase transition in solid ammonium chloride, Los Alamos Chemical Physics Preprint Database, #9403002 (1994). This article was not peer-reviewed but is widely disseminated, is publicly available on the Internet, and has been cited by others in the primary scientific literature.
- R.Q. Topper, Q. Zhang, Y.-P. Liu, and D.G. Truhlar, Quantum steam tables. Free energy calculations for H2O,D2O, H2S, and H2Se by adaptively optimized Fourier path integrals, Journal of Chemical Physics 98, 4991 (1993).
- R.Q. Topper, G.J. Tawa, and D.G. Truhlar, Quantum free-energy calculations: A three-dimensional test case, Journal of Chemical Physics 97, 3648 (1992).
- R.Q. Topper and D.G. Truhlar, Quantum free-energy calculations: Optimized Fourier path-integral Monte Carlo computation of coupled vibrational partition functions, Journal of Chemical Physics 97, 3648 (1992).
- N. De Leon, M.A. Mehta, and R.Q. Topper, Cylindrical manifolds in phase space as mediators of chemical reaction dynamics and kinetics II. Numerical considerations and applications to molecular models with two degrees of freedom, Journal of Chemical Physics 94, 8329 (1991).
- N. De Leon, M.A. Mehta, and R.Q. Topper, Cylindrical manifolds in phase space as mediators of chemical reaction dynamics and kinetics I. Theory, Journal of Chemical Physics 94, 8310 (1991).
Organization of Conferences and Symposia:
- Member of the Scientific Organizing Committee, 14th International Electronic Conference on Synthetic Organic Chemistry (November 2010).
- Principal Organizer, 7th - 11th Electronic Computational Chemistry Conference (2001-2007). International "virtual" online conference with hundreds of participants.
- Member of the Scientific Organizing Committee, Fourth Annual Electronic Computational Chemistry Conference (November 1997).
- Session chair, Computational Chemistry in Graduate and Undergraduate Education, 213th national meeting of the American Chemical Society, San Francisco, CA (March 1997).
- Session organizer and online session chair, “Stochastic Methods for Conformational Sampling,” First Electronic Molecular Modelling and Graphics Society Conference. This was the first international online chemistry conference to include real time question-and-answer sessions with the presenters, who developed HTML-based presentations of their research (October 1996).
Service to the Community:
- Senior scientist, Argonne National Laboratories' NEWTON Ask-A-Scientist (1993-present). K-12 students and teachers pose questions and designated scientists with the requisite expertise answer the questions. All answers are asked and archived online at http://newton.dep.anl.gov.
- Cub Scouts leader, Pack 70, Monmouth County BSA (2007-present). Developed a new Scientist pin program for Webelos scouts (grades 4-5).
- Project leader, Monmouth University REAP Program and Cooper Union High School Summer Research Intern Program (1996-2003). Directed groups of high school students and undergraduate mentors in experimental and computational research projects.
- Judge, New York Science and Technology Expo (1998 and 2000). Judged science fair projects for students in New York City public schools. Sponsored by the New York Academy of Sciences.
Service to the Profession:
- Peer review of research grant proposals for federal agencies, private trusts, nonprofit organizations and universities (most recently, National Science Foundation).
- Peer review of articles for scientific journals (most recently, Journal of Physical Chemistry).
- Editorial board member, International Journal of Molecular Sciences. Help facilitate difficult reviews.
Professional Organizations:
- Alpha Chi Sigma
- American Chemical Society
- American Physical Society
- Order of the Engineer
- Phi Lambda Upsilon
- Sigma Pi Sigma