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Showing 1 to 3 of 3 for “"Advanced sampling methods"”.
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Advanced Sampling Methods for Solving Large-Scale Inverse Problems
… and inverse problems. The majority of the methods in these two approaches are derived (at least implicitly) under the assumption that the underlying probability distributions are Gaussian. It is well accepted, however, that the Gaussianity assumption is too restrictive when applied to large …
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Ascent dynamics: an efficient algorithm probing long timescale dynamics
Submission published under a 24 month embargo labeled 'Closed Access', the embargo will last until 2024-05-01
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Phase equilibria from molecular simulation
… more powerful alternative to correlation based methods. These three fundamental areas were explored by employing molecular simulation in combination with the machinery of statistical mechanics, utilising advanced sampling methods and free energy calculations. This approach has led to the …