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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 71, 1990 - Issue 2
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Original Articles

A time-saving algorithm for generalized Langevin-dynamics simulations with arbitrary memory kernels

Lars G. Nilsson Department de Física Fonamental, Facultat de Física, Universitat de Barcelona, Diagonal 647, E-08028, Barcelona, Spain
&
Joan A. Padró Department de Física Fonamental, Facultat de Física, Universitat de Barcelona, Diagonal 647, E-08028, Barcelona, Spain
Pages 355-367 | Received 02 Apr 1990, Accepted 24 Apr 1990, Published online: 22 Aug 2006

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Dan Gordon, Vikram Krishnamurthy & Shin-Ho Chung. (2008) A generalized Langevin algorithm for studying permeation across biological ion channels. Molecular Physics 106:11, pages 1353-1361.
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Articles from other publishers (12)

Andrew D. Baczewski & Stephen D. Bond. (2013) Numerical integration of the extended variable generalized Langevin equation with a positive Prony representable memory kernel. The Journal of Chemical Physics 139:4.
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João Pedro Malhado, Riccardo Spezia & James T. Hynes. (2010) Dynamical Friction Effects on the Photoisomerization of a Model Protonated Schiff Base in Solution. The Journal of Physical Chemistry A 115:16, pages 3720-3735.
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Tamsyn A. Hilder, Dan Gordon & Shin-Ho Chung. (2011) Synthetic cation-selective nanotube: Permeant cations chaperoned by anions. The Journal of Chemical Physics 134:4.
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J Marian, G Venturini, B L Hansen, J Knap, M Ortiz & G H Campbell. (2010) Finite-temperature extension of the quasicontinuum method using Langevin dynamics: entropy losses and analysis of errors. Modelling and Simulation in Materials Science and Engineering 18:1, pages 015003.
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Dan Gordon, Vikram Krishnamurthy & Shin-Ho Chung. (2009) Generalized Langevin models of molecular dynamics simulations with applications to ion channels. The Journal of Chemical Physics 131:13.
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Turgut Baştuğ & Serdar Kuyucak. (2005) Memory effects in Brownian dynamics simulations of ion transport. Chemical Physics Letters 401:1-3, pages 175-179.
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A. Satoh. 2003. Introduction to Molecular-Microsimulation of Colloidal Dispersions. Introduction to Molecular-Microsimulation of Colloidal Dispersions 127 152 .
M. Canales & G. Sesé. (1998) Generalized Langevin dynamics simulations of NaCl electrolyte solutions. The Journal of Chemical Physics 109:14, pages 6004-6011.
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Alexander N. Drozdov. (1997) High-accuracy discrete path integral solutions for stochastic processes with noninvertible diffusion matrices. Physical Review E 55:3, pages 2496-2508.
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Rossend Rey. (1996) Rate constants in the spatial diffusion regime for a model based on the generalized Langevin equation. The Journal of Chemical Physics 104:5, pages 1966-1972.
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Juan A. Padró. 1993. Complex Fluids. Complex Fluids 199 208 .
R. Rey, E. Guàrdia & J. A. Padró. (1992) Generalized Langevin dynamics simulation of activated processes in solution: Ion pair interconversion in water. The Journal of Chemical Physics 97:11, pages 8276-8284.
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