Robust Estimation of Position-Dependent Anisotropic Diffusivity Tensors from Molecular Dynamics Trajectories
Author:
Affiliation:
1. Department of Chemical and Environmental Engineering, Yale University, New Haven, Connecticut 06520, United States
2. Department of Mathematics, Yale University, New Haven, Connecticut 06520, United States
Funder
Energy Frontier Research Centers
Air Force Office of Scientific Research
Division of Chemical, Bioengineering, Environmental, and Transport Systems
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.3c03581
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1. Effects of confinement on material behaviour at the nanometre size scale
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5. Confinement Effect of Sub-nanometer Difference on Melting Point of Ice-Nanotubes Measured by Photoluminescence Spectroscopy
Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Designing membranes with specific binding sites for selective ion separations;Nature Water;2024-08-08
2. Estimating Position-Dependent and Anisotropic Diffusivity Tensors from Molecular Dynamics Trajectories: Existing Methods and Future Outlook;Journal of Chemical Theory and Computation;2024-05-30
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