Molecular simulation

Jeffrey Potoff; Ioannis Economou

doi:10.1016/j.fluid.2019.05.027

Molecular simulation

Research output: Contribution to journal › Editorial

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 language	English
Journal	Fluid Phase Equilibria
DOIs	https://doi.org/10.1016/j.fluid.2019.05.027
Publication status	Published - 1 Jan 2019

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ASJC Scopus subject areas

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

Cite this

Potoff, J., & Economou, I. (2019). Molecular simulation. Fluid Phase Equilibria. https://doi.org/10.1016/j.fluid.2019.05.027

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Access to Document

10.1016/j.fluid.2019.05.027