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D

David A. Kofke

the state university of new york

46H指数
211论文数
8.6K被引数
收录论文 80
发表时间
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Order, range, and error: Inference of virial coefficients from data as demonstrated with the Lennard-Jones model阶数、范围和误差：从 数据推断位力系数的示例（以Lennard-Jones模型为例）
errFluid Phase Equilibria
IF2.7
err2026-09-10
err0
PREAI
errSakineh Mizani; Raghavendran Suresh; Andrew J. Schultz; David A. Kofke
err分享
err收藏
Methodical evaluation of Boyle temperatures using Mayer sampling Monte Carlo with application to polymers in implicit solvent
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-18
err1
PREAI
errSchultz, Andrew J.; Kofke, David A.
err分享
err收藏
Probabilistic computations of virial coefficients of polymeric structures described by rigid configurations of spherical particles: A fundamental extension of the ZENO program
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-12-08
err2
PREAI
errBansal, Arpit; Schultz, Andrew J.; Douglas, Jack F.; Kofke, David A.
err分享
err收藏
Virial equation of state as a new frontier for computational chemistry
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-11-15
err13
errOAAI
errSchultz, Andrew J.; Kofke, David A.
err分享
err收藏
Reformulation of expressions for thermoelastic properties of crystals using harmonic mapping
errPHYSICAL REVIEW B
IF3.7
err2022-09-12
err5
PREAI
errMoustafa, Sabry G.; Schultz, Andrew J.; Kofke, David A.
err分享
err收藏
pyHMA: A VASP post-processor for precise measurement of crystalline anharmonic properties using harmonically mapped averaging
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2021-01-01
err4
errOAAI
errMoustafa, Sabry G.; Purohit, Apoorva; Schultz, Andrew J.; Kofke, David A.
err分享
err收藏
Properties of supercriticalN2,O2,CO2, andNH3mixtures from the virial equation of state状态方程的超临界n2，O2，CO2和nh3混合物的性质
errAICHE JOURNAL
IF4
err2020-10-17
err5
errOAAI
errGokul, Navneeth; Schultz, Andrew J.; Kofke, David A.
err分享
err收藏
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)]
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-08-03
err7
PREAI
errSchultz, Andrew J.; Kofke, David A.
err分享
err收藏
Implementation of harmonically mapped averaging in LAMMPS, and effect of potential truncation on anharmonic properties
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-01-06
err7
errOAAI
errPurohit, Apoorva; Schultz, Andrew J.; Kofke, David A.
err分享
err收藏
Combined temperature and density series for fluid-phase properties. II. Lennard-Jones spheres
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-11-22
err15
errOAAI
errElliott, J. Richard; Schultz, Andrew J.; Kofke, David A.
err分享
err收藏
Alternatives to conventional ensemble averages for thermodynamic properties
errCURRENT OPINION IN CHEMICAL ENGINEERING
IF6.8
err2019-03-01
err13
errOAAI
errSchultz, Andrew J.; Kofke, David A.
err分享
err收藏
Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-11-30
err48
PREAI
errSchultz, Andrew J.; Kofke, David A.
err分享
err收藏
Effects of thermostatting in molecular dynamics on anharmonic properties of crystals: Application to fcc Al at high pressure and temperature
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-09-27
err20
PREAI
errMoustafa, Sabry G.; Schultz, Andrew J.; Kofke, David A.
err分享
err收藏
No system-size anomalies in entropy of bcc iron at Earth's inner-core conditions
errSCIENTIFIC REPORTS
IF3.9
err2018-05-08
err9
errOAAI
errSchultz, Andrew J.; Moustafa, Sabry G.; Kofke, David A.
err分享
err收藏
Virial Coefficients and Equations of State for Hard Polyhedron Fluids
errLANGMUIR
IF3.9
err2017-10-03
err22
PREAI
errIrrgang, M. Eric; Engel, Michael; Schultz, Andrew J.; Kofke, David A.; Glotzer, Sharon C.
err分享
err收藏
Accurate and precise ab initio anharmonic free-energy calculations for metallic crystals: Application to hcp Fe at high temperature and pressure
errPHYSICAL REVIEW B
IF3.7
err2017-07-26
err31
errOAAI
errMoustafa, Sabry G.; Schultz, Andrew J.; Zurek, Eva; Kofke, David A.
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err收藏
Direct orientation sampling of diatomic molecules for path integral Monte Carlo calculation of fully quantum virial coefficients
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-03-03
err4
PREAI
errSubramanian, Ramachandran; Schultz, Andrew J.; Kofke, David A.
err分享
err收藏
Harmonically Assisted Methods for Computing the Free Energy of Classical Crystals by Molecular Simulation: A Comparative Study
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-01-09
err23
PREAI
errMoustafa, Sabry G.; Schultz, Andrew J.; Kofke, David A.
err分享
err收藏
Reformulation of Ensemble Averages via Coordinate Mapping
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-03-07
err31
PREAI
errSchultz, Andrew J.; Moustafa, Sabry G.; Lin, Weisong; Weinstein, Steven J.; Kofke, David A.
err分享
err收藏
Combined temperature and density series for fluid-phase properties. I. Square-well spheres
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-09-18
err13
PREAI
errElliott, J. Richard; Schultz, Andrew J.; Kofke, David A.
err分享
err收藏

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