David A Kofke

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 10

Top Topics

Magnetic Resonance

Systematic Review

Molecular Dynamics

Top Venues

The Journal of chemical physics

The journal of physical chemistry. B

Scientific reports

Langmuir : the ACS journal of surfaces and colloids

This page only lists publications with an associated author ORCID identifier.

Publications

David A Kofke
Origins of the Failure of the Activity Virial Series. The journal of physical chemistry. B (2023)
Arpit Bansal, Andrew J Schultz, Jack F Douglas, David A Kofke
Probabilistic computations of virial coefficients of polymeric structures described by rigid configurations of spherical particles: A fundamental extension of the ZENO program. The Journal of chemical physics 157 (22) (2022)
Arpit Bansal, Andrew J Schultz, David A Kofke
Evaluation of Osmotic Virial Coefficients via Restricted Gibbs Ensemble Simulations, with Support from Gas-Phase Mixture Coefficients. The journal of physical chemistry. B 125 (26) (2021)
Apoorva Purohit, Andrew J Schultz, David A Kofke
Implementation of harmonically mapped averaging in LAMMPS, and effect of potential truncation on anharmonic properties. The Journal of chemical physics 152 (1) (2020)
J Richard Elliott, Andrew J Schultz, David A Kofke
Combined temperature and density series for fluid-phase properties. II. Lennard-Jones spheres. The Journal of chemical physics 151 (20) (2019)
Sabry G Moustafa, Andrew J Schultz, David A Kofke
Effects of thermostatting in molecular dynamics on anharmonic properties of crystals: Application to fcc Al at high pressure and temperature. The Journal of chemical physics 149 (12) (2018)
Andrew J Schultz, Sabry G Moustafa, David A Kofke
No system-size anomalies in entropy of bcc iron at Earth's inner-core conditions. Scientific reports 8 (1) (2018)
Andrew J Schultz, David A Kofke
Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases. The Journal of chemical physics 149 (20) (2018)
M Eric Irrgang, Michael Engel, Andrew J Schultz, David A Kofke, Sharon C Glotzer
Virial Coefficients and Equations of State for Hard Polyhedron Fluids. Langmuir : the ACS journal of surfaces and colloids 33 (42) (2017)
Sabry G Moustafa, Andrew J Schultz, David A Kofke
Harmonically Assisted Methods for Computing the Free Energy of Classical Crystals by Molecular Simulation: A Comparative Study. Journal of chemical theory and computation 13 (2) (2017)