Robert Q. Topper

Professor of Chemistry

Materials property prediction

Our interests in property prediction and simulation have resulted in several studies focused on solid-solid phase transitions and intermolecular forces within exotic liquids, such as the papers below:

(1) E. Schneider, L. Dai***, R.Q. Topper, C. Drechsel-Grau, and M.E. Tuckerman, Stochastic neural network approach for learning high-dimensional free energy surfacesPhysical Review Letters 119, 150601 (2017).

(2) 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). [ISSN: 1099-8292]. This journal is no longer operating, but a reprint is available here: 2000_KritzerBipotentialsIJCFINAL2 . See also .

(3) 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).

* = undergraduate student researcher

***=high school student researcher

Supplementary Materials for (2):

 Hexagonal Close-Packed Lattice Cell Parameter Expansion (QuickTime)

 Rhombahedral Lattice Angular Variation (QuickTime)