Concepedia

Comparison of atomic simulation methods for computing thermal conductivity of n-decane at sub/supercritical pressure

Xueming Yang, Yue Gao, Mingli Zhang, Wenchao Jiang

Journal of Molecular Liquids · 2021 · 27 citations · 47 references

DOI

Concepts

References

47

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

, , +10

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15.3K citations

, , +17

COMPASS:  An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

Huai Sun · The Journal of Physical Chemistry B · 1998 · 5.9K citations

, , +17

Transferable Potentials for Phase Equilibria. 1. United-Atom Description of <i>n</i>-Alkanes

Marcus G. Martin, J. Ilja Siepmann · The Journal of Physical Chemistry B · 1998 · 2.9K citations

, , +17

Optimized intermolecular potential functions for liquid hydrocarbons

William L. Jorgensen, Jeffry D. Madura, Carol J. Swenson · Journal of the American Chemical Society · 1984 · 2.3K citations

, , +13