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Molecular Simulation Volume 6, 1991 - Issue 1-3
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Original Articles

Grand Molecular Dynamics: A Method for Open Systems

Tahir Çagin Department of Chemistry, University of Houston, Houston, TX, 77204-5641, USA; System Corp, 4126, Linden Ave., Dayton, OH45432
&
B. Montgomery Pettitt Department of Chemistry, University of Houston, Houston, TX, 77204-5641, USA
Pages 5-26 | Received 01 Mar 1990, Accepted 01 Mar 1990, Published online: 23 Sep 2006

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A. Rahbari, R. Hens, M. Ramdin, O. A. Moultos, D. Dubbeldam & T. J. H. Vlugt. (2021) Recent advances in the continuous fractional component Monte Carlo methodology. Molecular Simulation 47:10-11, pages 804-823.
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A. N. Grigoriev, T. V. Kleshchonok, I. V. Markov & L. A. Bulavin. (2020) Monte-Carlo determination of adiabatic compressibility of hard spheres. Molecular Simulation 46:12, pages 905-910.
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TATYANA KUZNETSOVA & BJØRN KVAMME. (1999) Grand canonical molecular dynamics for TIP4P water systems. Molecular Physics 97:3, pages 423-431.
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Tatyana Kuznetsova & Bj⊘rn Kvamme. (1999) Ergodicity Range of Nosé-Hoover Thermostat Parameters and Entropy-Related Properties of Model Water Systems. Molecular Simulation 21:4, pages 205-225.
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GRANT S. HEFFELFINGER & DAVID M. FORD. (1998) Massively parallel dual control volume grand canonical molecular dynamics with LADERA I. Gradient driven diffusion in Lennard-Jones fluids. Molecular Physics 94:4, pages 659-671.
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N. Quirke. (1996) Some Recent Developments in Computational Chemistry. Molecular Simulation 16:1-3, pages 193-208.
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Samantha Weerasinghe & B. Montgomery Pettitt. (1994) Ideal chemical potential contribution in molecular dynamics simulations of the grand canonical ensemble. Molecular Physics 82:5, pages 897-912.
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Jie Ji & B.Montgomery Pettitt. (1994) Phase transitions of water at constant excess chemical potential An application of grand molecular dynamics. Molecular Physics 82:1, pages 67-83.
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Phil Attard & GrantA. Moule. (1993) A force-balance Monte Carlo simulation of the surface tension of a hard-sphere fluid. Molecular Physics 78:4, pages 943-959.
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