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Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|September 21, 2002
Molecular simulation of shocked materials using the reactive Monte Carlo methodJohn K Brennan, Betsy M RicePhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|February 9, 2005
Reaction ensemble molecular dynamics: direct simulation of the dynamic equilibrium properties of chemically reacting mixturesJohn K Brennan, Martin Lísal, Keith E Gubbins, et al.The Journal of Physical Chemistry. B|March 15, 2024
Maximum Entropy Theory of Multiscale Coarse-Graining via Matching Thermodynamic Forces: Application to a Molecular Crystal (TATB)Sergei Izvekov, Matthew P Kroonblawd, James P Larentzos, et al.The Journal of Chemical Physics|April 10, 2012
Mechanism of densification in silica glass under pressure as revealed by a bottom-up pairwise effective interaction modelSergei Izvekov, Betsy M RicePhysical Chemistry Chemical Physics : PCCP|March 28, 2015
On the importance of shear dissipative forces in coarse-grained dynamics of molecular liquidsSergei Izvekov, Betsy M RiceThe Journal of Chemical Physics|August 15, 2021
Bottom-up coarse-grain modeling of plasticity and nanoscale shear bands in α-RDXSergei Izvekov, Betsy M RiceThe Journal of Chemical Physics|September 11, 2012
Free-energy based pair-additive potentials for bulk Ni-Al systems: application to study Ni-Al reactive alloyingSergei Izvekov, Betsy M RiceJournal of Chemical Theory and Computation|May 31, 2023
Hierarchical Machine Learning of Low-Resolution Coarse-Grained Free Energy PotentialsSergei Izvekov, Betsy M RiceThe Journal of Chemical Physics|March 18, 2014
Multi-scale coarse-graining of non-conservative interactions in molecular liquidsSergei Izvekov, Betsy M RiceThe Journal of Chemical Physics|January 3, 2016
A new parameter-free soft-core potential for silica and its application to simulation of silica anomaliesSergei Izvekov, Betsy M RicePageof 7