Uncertainty quantification in MD simulations. II: Bayesian inference of force-field parameters
Bayesian inferenceinverse problemmolecular dynamicspolynomial chaossurrogate modelTIP4P wateruncertainty quantification
Gaussian processes (60G15) Bayesian problems; characterization of Bayes procedures (62C10) Bayesian inference (62F15) Applications of statistics to physics (62P35) Numerical analysis or methods applied to Markov chains (65C40) Thermal effects in solid mechanics (74F05) Classical dynamic and nonequilibrium statistical mechanics (general) (82C05) Interacting particle systems in time-dependent statistical mechanics (82C22) Statistical mechanics of liquids (82D15)
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