O(N) Stochastic Evaluation of Many-Body van der Waals Energies in Large Complex Systems-Reference-Cited by-同舟云学术

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O(N) Stochastic Evaluation of Many-Body van der Waals Energies in Large Complex Systems

Published:2022-02-08 Issue:3 Volume:18 Page:1633-1645
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Poier Pier Paolo¹,Lagardère Louis¹²,Piquemal Jean-Philip¹³⁴^ORCID

Affiliation:

1. LCT, UMR 7616 CNRS, Sorbonne Université, Paris 75052, France

2. IP2CT, FR 2622 CNRS, Sorbonne Université, Paris 75005, France

3. Institut Universitaire de France, Paris 75231, France

4. Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States

Funder

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01291

Reference67 articles.

1. The Theory of Intermolecular Forces

2. London Dispersion in Molecular Chemistry-Reconsidering Steric Effects

3. Can (semi)local density functional theory account for the London dispersion forces?

4. A density-functional study of van der Waals forces: rare gas diatomics

5. Density functional theory and molecular clusters

Cited by 12 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. Second quantization of many-body dispersion interactions for chemical and biological systems;Nature Communications;2023-12-12

2. Molecules in Environments: Toward Systematic Quantum Embedding of Electrons and Drude Oscillators;Physical Review Letters;2023-11-30

3. libMBD: A general-purpose package for scalable quantum many-body dispersion calculations;The Journal of Chemical Physics;2023-11-07

4. Universal Pairwise Interatomic van der Waals Potentials Based on Quantum Drude Oscillators;Journal of Chemical Theory and Computation;2023-10-24

5. Smooth particle mesh Ewald-integrated stochastic Lanczos many-body dispersion algorithm;The Journal of Chemical Physics;2023-10-20

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