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Journal of Chemical Theory and Computation
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November 20, 2015
Quantifying Computational Effort Required for Stochastic Averages
Andrew J Schultz, David A Kofke
The Journal of Chemical Physics
|
December 4, 2018
Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases
Andrew J Schultz, David A Kofke
The Journal of Chemical Physics
|
June 3, 2019
Application of the interface potential approach for studying wetting behavior within a molecular dynamics framework
Karnesh Jain, Andrew J Schultz, Jeffrey R Errington
The Journal of Physical Chemistry. B
|
July 14, 2021
Coupled Monte Carlo and Molecular Dynamics Simulations on Interfacial Properties of Antifouling Polymer Membranes
Yiqi Chen, Andrew J Schultz, Jeffrey R Errington
The Journal of Physical Chemistry. B
|
June 24, 2021
Evaluation of Osmotic Virial Coefficients via Restricted Gibbs Ensemble Simulations, with Support from Gas-Phase Mixture Coefficients
Arpit Bansal, Andrew J Schultz, David A Kofke
The Journal of Chemical Physics
|
August 3, 2019
Construction of the interface potential from a series of canonical ensemble simulations
Karnesh Jain, Andrew J Schultz, Jeffrey R Errington
The Journal of Chemical Physics
|
January 10, 2020
Implementation of harmonically mapped averaging in LAMMPS, and effect of potential truncation on anharmonic properties
Apoorva Purohit, Andrew J Schultz, David A Kofke
The Journal of Chemical Physics
|
October 15, 2010
Efficient calculation of temperature dependence of solid-phase free energies by overlap sampling coupled with harmonically targeted perturbation
Tai Boon Tan, Andrew J Schultz, David A Kofke
The Journal of Chemical Physics
|
June 10, 2010
Suitability of umbrella- and overlap-sampling methods for calculation of solid-phase free energies by molecular simulation
Tai Boon Tan, Andrew J Schultz, David A Kofke
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
Page
of 5
Search research articles
Search
Showing results (11-20 of 46) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
November 20, 2015
Quantifying Computational Effort Required for Stochastic Averages
Andrew J Schultz, David A Kofke
The Journal of Chemical Physics
|
December 4, 2018
Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases
Andrew J Schultz, David A Kofke
The Journal of Chemical Physics
|
June 3, 2019
Application of the interface potential approach for studying wetting behavior within a molecular dynamics framework
Karnesh Jain, Andrew J Schultz, Jeffrey R Errington
The Journal of Physical Chemistry. B
|
July 14, 2021
Coupled Monte Carlo and Molecular Dynamics Simulations on Interfacial Properties of Antifouling Polymer Membranes
Yiqi Chen, Andrew J Schultz, Jeffrey R Errington
The Journal of Physical Chemistry. B
|
June 24, 2021
Evaluation of Osmotic Virial Coefficients via Restricted Gibbs Ensemble Simulations, with Support from Gas-Phase Mixture Coefficients
Arpit Bansal, Andrew J Schultz, David A Kofke
The Journal of Chemical Physics
|
August 3, 2019
Construction of the interface potential from a series of canonical ensemble simulations
Karnesh Jain, Andrew J Schultz, Jeffrey R Errington
The Journal of Chemical Physics
|
January 10, 2020
Implementation of harmonically mapped averaging in LAMMPS, and effect of potential truncation on anharmonic properties
Apoorva Purohit, Andrew J Schultz, David A Kofke
The Journal of Chemical Physics
|
October 15, 2010
Efficient calculation of temperature dependence of solid-phase free energies by overlap sampling coupled with harmonically targeted perturbation
Tai Boon Tan, Andrew J Schultz, David A Kofke
The Journal of Chemical Physics
|
June 10, 2010
Suitability of umbrella- and overlap-sampling methods for calculation of solid-phase free energies by molecular simulation
Tai Boon Tan, Andrew J Schultz, David A Kofke
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
Page
of 5