Search research articles
Contact Us
Filters
Showing results (1-10 of 10) with videos related to
Page
of 1
Sort By:
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 Crystals
Sabry 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 Mapping
Sabry 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 Crystals
Sabry 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 simulation
Sabry 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 Study
Sabry 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 temperature
Sabry 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 simulation
Sabry 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 sampling
Sabry 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 conditions
Andrew J Schultz, Sabry G Moustafa, David A Kofke
Journal of Chemical Theory and Computation
|
March 8, 2016
Reformulation of Ensemble Averages via Coordinate Mapping
Andrew J Schultz, Sabry G Moustafa, Weisong Lin, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 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 Crystals
Sabry 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 Mapping
Sabry 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 Crystals
Sabry 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 simulation
Sabry 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 Study
Sabry 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 temperature
Sabry 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 simulation
Sabry 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 sampling
Sabry 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 conditions
Andrew J Schultz, Sabry G Moustafa, David A Kofke
Journal of Chemical Theory and Computation
|
March 8, 2016
Reformulation of Ensemble Averages via Coordinate Mapping
Andrew J Schultz, Sabry G Moustafa, Weisong Lin, et al.
Page
of 1