Coarse graining a non-Markovian collisional model
نویسندگان
چکیده
منابع مشابه
Coarse graining
Multiscale simulations For nearly all systems of interest to us, the most transferrable and fundamental description of matter is one that invokes quantum mechanics. At the highest level of accuracy, this amounts to solving Schrodinger’s equation for all of the subatomic particles in a system. Computationally, many approximations need to be made in order to use ab initio methods, and even these ...
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We explain a method, inspired by control theory model reduction and interpolation theory, that rigorously establishes the types of coarse graining that are appropriate for systems with quadratic, generalized Hamiltonians. For such systems, general conditions are given that establish when local coarse grainings should be valid. Interestingly, our analysis provides a reduction method that is vali...
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Brute-force molecular dynamics simulations are limited by the exuberant number of degrees of freedom and the relatively small time-steps. As a result, only relatively small assemblies of molecules over small time spans are accessible with current and foreseeable computational capabilities. In order to overcome this limitation, coarse-grained models have been proposed which employ a much smaller...
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ژورنال
عنوان ژورنال: Physical Review A
سال: 2017
ISSN: 2469-9926,2469-9934
DOI: 10.1103/physreva.95.032117