Predicting adsorption energies and the physical properties of H, N, and O adsorbed on transition metal surfaces: A machine learning study
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Surfaces, Coatings and Films,Surfaces and Interfaces,Condensed Matter Physics
Reference63 articles.
1. Transferable machine-learning model of the electron density;Grisafi;ACS Cent. Sci.,2018
2. Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions;Schütt;Nat. Commun.,2019
3. Transferable dynamic molecular charge assignment using Deep Neural Networks;Nebgen;J. Chem. Theory Comput.,2018
4. Discovering a transferable charge assignment model using machine learning;Sifain;J. Phys. Chem. Lett.,2018
5. Bond order predictions using Deep Neural Networks;Magedov;J. Appl. Phys.,2021
Cited by 8 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. In-situ laser surface remelting of laser powder bed fused AlSi10Mg alloy at argon and nitrogen protective gases: Multiscale analysis;Optics & Laser Technology;2025-02
2. Hydrogen, Oxygen, and Lead Adsorbates on Al13Co4(100): Accurate Potential Energy Surfaces at Low Computational Cost by Machine Learning and DFT-Based Data;Journal of Chemical Theory and Computation;2024-08-19
3. Density Functional Theory-Based Indicators to Estimate the Corrosion Potentials of Zinc Alloys in Chlorine-, Oxidizing-, and Sulfur-Harsh Environments;Molecules;2024-08-10
4. CatEmbed: A Machine-Learned Representation Obtained via Categorical Entity Embedding for Predicting Adsorption and Reaction Energies on Bimetallic Alloy Surfaces;The Journal of Physical Chemistry Letters;2024-06-24
5. A machine-learning-assisted study of propylene adsorption behaviors on transition metals and alloys: Beyond the Dewar-Chatt-Duncanson model;Chem Catalysis;2024-02
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