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Advances in Forces Fields for Small Molecules, Water and Proteins: from Polarization to Neural Network
Molecular dynamics (MD) simulations is an invaluable tool to investigate chemical and biological processes in atomic details. The accuracy of MD simulations strongly depends on underlying force fields. In conventional molecular ...
Bayesian multi- and matrix-variate modelling: Graphical models and time series
Modelling and inference with higher-dimensional variables, including studies in multivariate time series analysis, raise challenges to our ability to ``scale-up'' statistical approaches that involve both modelling ...