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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Molecular Simulation of Fluids - Theory, Algorithms, Object-Orientation, and Parallel Computing (Paperback, 2nd edition)
Loot Price: R3,947
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Molecular Simulation of Fluids - Theory, Algorithms, Object-Orientation, and Parallel Computing (Paperback, 2nd edition)
Expected to ship within 10 - 15 working days
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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.
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