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Scientific Reports|May 10, 2018
No system-size anomalies in entropy of bcc iron at Earth's inner-core conditionsAndrew J Schultz, Sabry G Moustafa, David A KofkeThe Journal of Chemical Physics|September 7, 2013
A comparative study of methods to compute the free energy of an ordered assembly by molecular simulationSabry G Moustafa, Andrew J Schultz, David A KofkePhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|November 14, 2015
Very fast averaging of thermal properties of crystals by molecular simulationSabry G Moustafa, Andrew J Schultz, David A KofkeJournal of Chemical Theory and Computation|December 29, 2016
Harmonically Assisted Methods for Computing the Free Energy of Classical Crystals by Molecular Simulation: A Comparative StudySabry G Moustafa, Andrew J Schultz, David A KofkeThe Journal of Chemical Physics|October 4, 2018
Effects of thermostatting in molecular dynamics on anharmonic properties of crystals: Application to fcc Al at high pressure and temperatureSabry G Moustafa, Andrew J Schultz, David A KofkeJournal of Chemical Theory and Computation|March 8, 2016
Reformulation of Ensemble Averages via Coordinate MappingAndrew J Schultz, Sabry G Moustafa, Weisong Lin, et al.Journal of Chemical Theory and Computation|November 11, 2024
Generalized Path Integral Energy and Heat Capacity Estimators of Quantum Oscillators and Crystals Using Harmonic MappingSabry G Moustafa, Andrew J SchultzJournal of Chemical Theory and Computation|August 7, 2024
Harmonic Oscillator Staging Coordinates for Efficient Path Integral Simulations of Quantum Oscillators and CrystalsSabry G Moustafa, Andrew J SchultzJournal of Computational Chemistry|January 8, 2015
Etomica: an object-oriented framework for molecular simulationAndrew J Schultz, David A KofkePhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|December 21, 2011
Algorithm for constant-pressure Monte Carlo simulation of crystalline solidsAndrew J Schultz, David A KofkePageof 7