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Classical molecular simulations are widespread in the natural sciences, for instance, to study protein folding in an explicit aqueous solution. Here, chemical systems are modeled empirically by a set of atomic positions with parameterized interaction potentials.

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Molecular Simulation from Modern Statistics

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  • 发表日期：

    2025年

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  • Philipp Höllmer

摘要

Classical molecular simulations are widespread in the natural sciences, for instance, to study protein folding in an explicit aqueous solution. Here, chemical systems are modeled empirically by a set of atomic positions with parameterized interaction potentials.