Coupled quantum mechanics/molecular mechanics modeling of metallic materials: Theory and applications
Author:
Abstract
Publisher
Springer Science and Business Media LLC
Subject
Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science
Reference89 articles.
1. Recent developments in QM/MM methods towards open-boundary multi-scale simulations
2. Flexible-boundary QM/MM calculations: II. Partial charge transfer across the QM/MM boundary that passes through a covalent bond
3. Molecular Dynamics with On-the-Fly Machine Learning of Quantum-Mechanical Forces
4. Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces
5. Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
Cited by 5 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. Modeling of Magnetic Films: A Scientific Perspective;Materials;2024-03-21
2. Atom-Probe Tomography Studies of Oxidation in NbTiZr Refractory High-Entropy Alloys;Microscopy and Microanalysis;2023-07-22
3. Photochemistry of Biological Systems: Excited-State Electronic Structure Calculations and Nonadiabatic Dynamics Simulations with QM/MM Methods;Reference Module in Chemistry, Molecular Sciences and Chemical Engineering;2022
4. Effect of Graphite on Copper Bioleaching from Waste Printed Circuit Boards;Minerals;2020-01-19
5. Layered Cathode Materials for Lithium-Ion Batteries: Review of Computational Studies on LiNi1–x–yCoxMnyO2 and LiNi1–x–yCoxAlyO2;Chemistry of Materials;2020-01-06
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3