New optimization method for intermolecular potentials: Optimization of a new anisotropic united atoms potential for olefins: Prediction of equilibrium properties-Reference-Cited by-同舟云学术

New optimization method for intermolecular potentials: Optimization of a new anisotropic united atoms potential for olefins: Prediction of equilibrium properties

Published:2003-02-15 Issue:7 Volume:118 Page:3020-3034
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Bourasseau Emeric,Haboudou Mehalia,Boutin Anne,Fuchs Alain H.,Ungerer Philippe

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1537245

Reference31 articles.

1. Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble

2. Phase equilibria by simulation in the Gibbs ensemble

3. Computer simulations in the Gibbs ensemble

4. On the application of virtual Gibbs ensembles to the direct simulation of fluid–fluid and solid–fluid phase coexistence

5. Micromaser with stationary non-Poissonian pumping

Cited by 143 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. New parametrization of a Lennard–Jones force field based on Slater-Kirkwood correlation for computing adsorption on MOFs;Adsorption;2024-09-06

2. Influence of the Lennard-Jones Combination Rules on the Simulated Properties of Organic Liquids at Optimal Force-Field Parametrization;Journal of Chemical Theory and Computation;2023-03-15

3. The viscosity of liquid ethene: Measurement and molecular dynamic simulation;The Journal of Chemical Thermodynamics;2023-03

4. Comprehensive Automated Routine Implementation, Validation, and Benchmark of the Anisotropic Force Field (AUA4) Using Python and GROMACS;The Journal of Physical Chemistry A;2023-02-07

5. gmak: A Parameter-Space Mapping Strategy for Force-Field Calibration;Journal of Chemical Theory and Computation;2023-01-12