PirateBay Download | sadus r molecular simulation fluids theory algorithms computing 2ed 2023

sadus r molecular simulation fluids theory algorithms computing 2ed 2023

Type:: E-books
Files:: 1
Size:: 20.4 MB
Uploaded On:: Oct. 9, 2023, 4:48 p.m.
Added By:: andryold1
Seeders:: 7
Leechers:: 1
Info Hash:: 8FD9687D3A2E1725E5162D1CE1ECCD0334C87B7F

Textbook in PDF format Molecular simulation allows researchers unique insight into the structures and interactions at play in fluids. Since publication of the first edition of Molecular Simulation of Fluids, novel developments in theory, algorithms and computer hardware have generated enormous growth in simulation capabilities. This 2nd edition has been fully updated and expanded to highlight this recent progress, encompassing both Monte Carlo and molecular dynamic techniques, and providing details of theory, algorithms and both serial and parallel implementations.Beginning with a clear introduction and review of theoretical foundations, the book goes on to explore intermolecular potentials before discussing the calculation of molecular interactions in more detail. Monte Carlo simulation and integrators for molecular dynamics are then discussed further, followed by non-equilibrium molecular dynamics and molecular simulation of ensembles and phase equilibria. The use of object-orientation is examined in detail, with working examples coded in C++. Finally, practical parallel simulation algorithms are discussed using both MPI and GPUs, with the latter coded in CUDA.Drawing on the extensive experience of its expert author, Molecular Simulation of Fluids: Theory, Algorithms, Object-Orientation, and Parallel Computing 2nd Edition is a practical, accessible guide to this complex topic for all those currently using, or interested in using, molecular simulation to study fluids. Introduction Ensembles, thermodynamic averages, and particle dynamics Intermolecular pair potentials and force fields Ab initio, two-body and three-body intermolecular potentials Calculating molecular interactions Monte Carlo simulation Integrators for molecular dynamics Nonequilibrium molecular dynamics Molecular simulation of ensembles Molecular simulation of phase equilibria Molecular simulation and object-orientation GPU and CPU parallel molecular simulation with CUDA and MPI

Get This Torrent

Sadus R. Molecular Simulation of Fluids. Theory, Algorithms,..Computing 2ed 2023.pdf 20.4 MB

Details for: Sadus R. Molecular Simulation of Fluids. Theory, Algorithms,..Computing 2ed 2023

sadus r molecular simulation fluids theory algorithms computing 2ed 2023

Similar Posts: