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David A Kofke

5PUBLICATIONS

3CO-AUTHORS

Condensed matter modelling and density functional theoryData structures and algorithmsNumerical solution of differential and integral equationsStructural properties of condensed matterComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)

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Publications (5)

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|Aug 11, 2020

Erratum: "Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases" [J. Chem. Phys. 149, 204508 (2018)].

Andrew J Schultz, David A Kofke

|Jan 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

|Nov 30, 2019

Combined temperature and density series for fluid-phase properties. II. Lennard-Jones spheres.

J Richard Elliott, Andrew J Schultz, David A Kofke

|Dec 04, 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

|Oct 04, 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

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Frequent Collaborators

3 joint publications

Andrew J Schultz

1 joint publications

Sabry G Moustafa

1 joint publications

J Richard Elliott

Frequent Collaborators

3 joint publications

Andrew J Schultz

1 joint publications

Sabry G Moustafa

1 joint publications

J Richard Elliott

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