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 surfaces, Physical 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 https://web.archive.org/web/20010303183249/http://www.ijc.com/abstracts/abstract3n12.html .
(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):