Quantum Free Energy Profiles for Molecular Proton Transfers-Reference-Cited by-同舟云学术

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Quantum Free Energy Profiles for Molecular Proton Transfers

Published:2022-12-23 Issue:1 Volume:19 Page:18-24
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Lamaire Aran¹^ORCID,Cools-Ceuppens Maarten¹^ORCID,Bocus Massimo¹^ORCID,Verstraelen Toon¹^ORCID,Van Speybroeck Veronique¹^ORCID

Affiliation:

1. Center for Molecular Modeling (CMM), Ghent University, Technologiepark 46, 9052Zwijnaarde, Belgium

Funder

Fonds Wetenschappelijk Onderzoek

Research Board of Ghent University

Flanders Industry Innovation Moonshot

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00874

Reference30 articles.

1. Nuclear quantum effects enter the mainstream

2. Space-Time Approach to Non-Relativistic Quantum Mechanics

3. Machine Learning Force Fields

4. Machine-learned potentials for next-generation matter simulations

5. Gaussian Process Regression for Materials and Molecules

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. Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials;The Journal of Chemical Physics;2024-06-10

2. Collective Proton Transfers in Cyclic Water–Ammonia Tetramers: A Path Integral Machine-Learning Study;The Journal of Physical Chemistry A;2023-02-16

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