Orbital Mixer: Using Atomic Orbital Features for Basis-Dependent Prediction of Molecular Wavefunctions-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Orbital Mixer: Using Atomic Orbital Features for Basis-Dependent Prediction of Molecular Wavefunctions

Published:2022-09-19 Issue:10 Volume:18 Page:6021-6030
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Shmilovich Kirill¹^ORCID,Willmott Devin²,Batalov Ivan²,Kornbluth Mordechai³,Mailoa Jonathan⁴,Kolter J. Zico²⁵

Affiliation:

1. Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States

2. Bosch Center for Artificial Intelligence, Pittsburgh, Pennsylvania 15222, United States

3. Bosch Research and Technology Center, Cambridge, Massachusetts 02139, United States

4. Tencent Quantum Laboratory, Shenzhen, Guangdong 518057, China

5. Carnegie Mellon University, Pittsburgh, Pennsylvania 15222, United States

Funder

Division of Graduate Education

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00555

Reference67 articles.

1. Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces

2. Machine Learning Force Fields

3. Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

4. ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost

5. Machine learning of accurate energy-conserving molecular force fields

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. DiAMoNDBack: Diffusion-Denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces;Journal of Chemical Theory and Computation;2023-10-31

2. Orbital Mixer: Using Atomic Orbital Features for Basis-Dependent Prediction of Molecular Wavefunctions;Journal of Chemical Theory and Computation;2022-09-19

同舟云学术

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