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User Review - Flag as inappropriate Classic book about computer simulation! MC and MD are all here in details. Best computer simulation book ever, although mainly dealing with classical methods and in Fortran. User Review - Flag as inappropriate There is a nice appendix that explains reduced units in detail! Related booksContents
Common terms and phrasesalgorithm angles ANINT applied approximation atoms bond lengths Brownian dynamics calculated canonical ensemble centre of mass Chapter chemical potential collision components computer simulation configuration conservation constant constraint coordinates correlation functions cutoff defined density derivatives discussed distribution function ensemble average equations of motion estimate evaluation example fluctuations fluid forces FORTRAN Fourier transform free energy given Hamiltonian hard spheres integral interactions involve kinetic lattice Lennard-Jones Lennard-Jones potential linear molecules liquid loop Markov chain matrix MD simulation method microcanonical ensemble minimum image molecular dynamics molecules momenta momentum Monte Carlo neighbours obtained orientation pair potential parameters particle periodic boundary conditions perturbation phase space positions potential energy pressure properties quantities quantum quaternions random number rotational RX(I RXIJ RZIJ sampling Section simple simulation box site-site solution spherical statistical step structure surface technique temperature thermodynamic trajectories transport coefficients values variables vector Verlet virial zero Popular passagesReferences to this bookFrom other books
From Google ScholarTorsion angle dynamics for NMR structure calculation with the new ...P Güntert, C Mumenthaler, K Wüthrich - 1997 - Journal of Molecular Biology The SIESTA method for ab initio order-N materials simulationJose M Soler, Emilio Artacho, Julian D Gale, Alberto Garcıa, Javier Junquera, Pablo Ordejon ... - 2002 - J. Phys.: Condens. Matter First-principles computation of material properties: the ABINIT ...X Gonze, J-M Beuken, R Caracas, F Detraux, M Fuchs, G-M Rignanese, L Sindic, M Verstraete, G ... - 2002 - Computational Materials Science Scalable Molecular Dynamics with NAMDJames C Phillips, Rosemary Braun, Wei Wang, James Gumbart, Emad Tajkhorshid, Elizabeth Villa ... - 2005 - Journal of computational chemistry References from web pagesJSTOR: Computer Simulation of Liquids. A Allen: Computer Simulation of Liquids 21 Allison: Fundamental ... Computer simulation of liquids Computer simulation of liquids CCP5 Software Computer simulation of liquids (Allen mp, Tildesley dj, 1987) Error in "Computer Simulation of Liquids" (researchindex) NSDL Materials Digital Library Soft Matter Wiki - Home Computer Simulation of Liquids Allen, mp (Lecturer in Physics ... Nonlinear rheology of a highly supercooled liquid Bibliographic information
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