Concepedia

Combined Monte Carlo and molecular dynamics simulation of methane adsorption on dry and moist coal

Junfang Zhang, Michael B. Clennell, David N. Dewhurst, Keyu Liu

Fuel · 2014 · 254 citations · 56 references

DOI

Concepts

References

56

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

, , +17

A smooth particle mesh Ewald method

Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations

, , +13

Polymorphic transitions in single crystals: A new molecular dynamics method

Michele Parrinello, A. Rahman · Journal of Applied Physics · 1981 · 20.2K citations

, , +15

GROMACS: Fast, flexible, and free

David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations

, , +17

A New Two-Constant Equation of State

Ding‐Yu Peng, Donald B. Robinson · Industrial & Engineering Chemistry Fundamentals · 1976 · 12.8K citations

, , +4