Molecular simulation

Jeffrey Potoff, Ioannis Economou

Research output: Contribution to journalEditorial

Abstract

This special topic issue highlights recent developments in the use of molecular simulation for the accurate prediction of phase equilibria and physical properties. The contributions cover a wide range of topics, including force fields, sampling algorithms, and data analysis methods.

Original languageEnglish
JournalFluid Phase Equilibria
DOIs
Publication statusPublished - 1 Jan 2019

Fingerprint

Phase equilibria
field theory (physics)
Physical properties
physical properties
sampling
Sampling
predictions
simulation

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Molecular simulation. / Potoff, Jeffrey; Economou, Ioannis.

In: Fluid Phase Equilibria, 01.01.2019.

Research output: Contribution to journalEditorial

@article{fae3d90501ec406f89de1e67810ba7e0,
title = "Molecular simulation",
abstract = "This special topic issue highlights recent developments in the use of molecular simulation for the accurate prediction of phase equilibria and physical properties. The contributions cover a wide range of topics, including force fields, sampling algorithms, and data analysis methods.",
author = "Jeffrey Potoff and Ioannis Economou",
year = "2019",
month = "1",
day = "1",
doi = "10.1016/j.fluid.2019.05.027",
language = "English",
journal = "Fluid Phase Equilibria",
issn = "0378-3812",
publisher = "Elsevier",

}

TY - JOUR

T1 - Molecular simulation

AU - Potoff, Jeffrey

AU - Economou, Ioannis

PY - 2019/1/1

Y1 - 2019/1/1

N2 - This special topic issue highlights recent developments in the use of molecular simulation for the accurate prediction of phase equilibria and physical properties. The contributions cover a wide range of topics, including force fields, sampling algorithms, and data analysis methods.

AB - This special topic issue highlights recent developments in the use of molecular simulation for the accurate prediction of phase equilibria and physical properties. The contributions cover a wide range of topics, including force fields, sampling algorithms, and data analysis methods.

UR - http://www.scopus.com/inward/record.url?scp=85067386003&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85067386003&partnerID=8YFLogxK

U2 - 10.1016/j.fluid.2019.05.027

DO - 10.1016/j.fluid.2019.05.027

M3 - Editorial

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

SN - 0378-3812

ER -