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Sabry G Moustafa

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Journal of Chemical Theory and Computation|October 30, 2024
Accurate and Fast Estimation of the Continuum Limit in Path Integral Simulations of Quantum Oscillators and CrystalsSabry G Moustafa
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 Schultz
Journal 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 Schultz
Physical 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 Kofke
Journal 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 Kofke
The 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 Kofke
The 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 Kofke
The Journal of Chemical Physics|January 10, 2024
Efficient single-run implementation of generalized Einstein relation to compute transport coefficients: A binary-based time samplingSabry G Moustafa, Andrew J Schultz, Jack F Douglas
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 Kofke
Journal of Chemical Theory and Computation|March 8, 2016
Reformulation of Ensemble Averages via Coordinate MappingAndrew J Schultz, Sabry G Moustafa, Weisong Lin, et al.
Pageof 1

Showing results (1-10 of 10) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|October 30, 2024
Accurate and Fast Estimation of the Continuum Limit in Path Integral Simulations of Quantum Oscillators and CrystalsSabry G Moustafa
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 Schultz
Journal 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 Schultz
Physical 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 Kofke
Journal 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 Kofke
The 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 Kofke
The 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 Kofke
The Journal of Chemical Physics|January 10, 2024
Efficient single-run implementation of generalized Einstein relation to compute transport coefficients: A binary-based time samplingSabry G Moustafa, Andrew J Schultz, Jack F Douglas
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 Kofke
Journal of Chemical Theory and Computation|March 8, 2016
Reformulation of Ensemble Averages via Coordinate MappingAndrew J Schultz, Sabry G Moustafa, Weisong Lin, et al.
Pageof 1