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Field Theoretic Simulations in Soft Matter and Quantum Fluids
Glenn H. FredricksonKris T. Delaney
出版Oxford University Press, 2023-02-13
主題Science / Physics / Condensed MatterScience / Mechanics / FluidsScience / Physics / Quantum Theory
ISBN01926632329780192663238
URLhttp://books.google.com.hk/books?id=zqatEAAAQBAJ&hl=&source=gbs_api
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註釋This monograph provides an introduction to field-theoretic simulations in classical soft matter and Bose quantum fluids. The method represents a new class of molecular computer simulation in which continuous fields, rather than particle coordinates, are sampled and evolved. Field-theoretic simulations are capable of analysing the properties of systems that are challenging for traditional simulation techniques, including dense phases of high molecular weight polymers, self-assembling fluids, and quantum fluids at finite temperature. The monograph details analytical methods for converting classical and quantum many-body problems to equilibrium field theory models with a molecular basis. Numerical methods are described that enable efficient, accurate, and scalable simulations of such models on modern computer hardware, including graphics processing units (GPUs). Extensions to non-equilibrium systems are discussed, along with an introduction to advanced field-theoretic simulation techniques including free energy estimation, alternative ensembles, coarse-graining, and variable cell methods.