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Markov chain Monte Carlo

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2 results in Keywords: Markov chain Monte Carlo

Theoretical and Computational Chemistry

Vendi Sampling For Molecular Simulations: Diversity As A Force For Faster Convergence And Better Exploration

Amey Pasarkar, Gianluca Bencomo, Simon Olsson, Adji Bousso Dieng

Version 1 posted 04 July 2023

1,054

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Theoretical and Computational Chemistry

Getting the intermolecular forces correct: introducing the ASTA strategy for a water model

Jiří Mareš, Pau Mayorga Delgado

Version 2 posted 12 March 2024

182

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