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Quantum Monte Carlo - Origins, Development, Applications (Hardcover)
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Quantum Monte Carlo - Origins, Development, Applications (Hardcover)
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Monte Carlo methods are a class of computational algorithms for
simulating the behavior of a wide range of various physical and
mathematical systems (with many variables). Their utility has
increased with general availability of fast computers, and new
applications are continually forthcoming. The basic concepts of
Monte Carlo are both simple and straightforward and rooted in
statistics and probability theory, their defining characteristic
being that the methodology relies on random or pseudo-random
sequences of numbers. It is a technique of numerical analysis based
on the approximate solution of a problem using repeated sampling
experiments and observing the proportion of times a given property
is satisfied.
The term Monte Carlo was first used to describe calculational
methods based on chance in the 1940s, but the methods themselves
preceded the term by as much as a century. Quantum Monte Carlo
(QMC) first appeared in 1982 and similarly was preceded by
development of the related calculational methodology. The success
of QMC methods over the past few decades has been remarkable, and
this book will clearly demonstrate that success in its discussion
of applications. For isolated molecules, the basic material of
chemistry, QMC methods have produced exact solutions of the
Schroedinger equation for very small systems and the most accurate
solutions available for very large systems. The range of
applications is impressive: folding of protein molecules,
interactions in liquids, structure modeling in crystals and
enzymes, quantum dots, designing heat shields and aerodynamic
forms, architecture, design, business and economics, and even
cinema and video games (3D modeling).
This booktakes a similar approach to Henry Schaefers classic book
Quantum Chemistry (OUP, 1984 now a Dover edition), collecting
summaries of some of the most important papers in the quantum Monte
Carlo literature, tying everything together with analysis and
discussion of applications. Quantum Monte Carlo is a reference book
for quantum Monte Carlo applications, belonging near the desk of
every quantum chemist, physicist, and a wide range of scientists
and engineers across many disciplines, destined to become a
classic.
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