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Physical Chemistry

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advanced sampling

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2 results in Keywords: advanced sampling

Theoretical and Computational Chemistry

Ideal conductor/dielectric model (ICDM): A generalized technique to correct for finite-size effects in molecular simulations of hindered ion transport

Amir Haji-Akbari, Brian Shoemaker

Version 1 posted 09 October 2023

190

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Theoretical and Computational Chemistry

Calculating Binding Free Energies in Model Host-Guest Systems with Unrestrained Advanced Sampling

Andrew V. Marquardt, Mohsen Farshad, Jonathan K. Whitmer

Version 1 posted 26 October 2023

326

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