CM_Part_1

CM_Part_1 - Monte Carlo Monte Carlo method is a common name...

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University of Virginia, MSE 4270/6270: Introduction to Atomistic Simulations, Leonid Zhigilei Monte Carlo Monte Carlo method is a common name for a wide variety of stochastic techniques. These techniques are based on the use of random numbers and probability statistics to investigate problems in areas as diverse as economics, nuclear physics, and flow of traffic. In general, to call something a "Monte Carlo" method, all you need to do is use random numbers to examine your problem. Materials science related examples include ¾ "classical" Monte Carlo: samples are drawn from a probability distribution, often the classical Boltzmann distribution, to obtain thermodynamic properties or minimum-energy structures; ¾ "quantum" Monte Carlo: random walks are used to compute quantum-mechanical energies and wavefunctions, often to solve electronic structure problems, using Schrödinger's equation as a formal starting point; ¾ "volumetric" Monte Carlo: random number generators are used to generate volumes per atom
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CM_Part_1 - Monte Carlo Monte Carlo method is a common name...

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