Introduction: Condensed Matter Theory by Computer Simulation
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The basic laws of physics that govern the phenomena on the scales of length and energy relevant for condensed matter systems, ranging from simple fluids and solids to complex multicomponent materials and even problems of chemical biology, are well known and understood: one just deals with the Schrödinger equation for the quantum many-body problem of the nuclei and electrons interacting with Coulomb potentials (for simplicity, we disregard, here throughout, the need for relativistic corrections in electronic structure calculations of matter containing heavy atoms). Statistical mechanics then supplies the framework to extend this quantum many-body theory to provide a statistical description in terms of averages taken at nonzero temperature.
KeywordsMonte Carlo Dissipative Particle Dynamic Quantum Monte Carlo Classical Statistical Mechanic Ring Polymer
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