A database of molecular properties integrated in the Materials Project

Author:

Spotte-Smith Evan Walter Clark12ORCID,Cohen Orion Archer3,Blau Samuel M.4ORCID,Munro Jason M.1,Yang Ruoxi1,Guha Rishabh D.1,Patel Hetal D.12,Vijay Sudarshan2,Huck Patrick1ORCID,Kingsbury Ryan5ORCID,Horton Matthew K.6,Persson Kristin A.27ORCID

Affiliation:

1. Materials Science Division, Lawrence Berkeley National Laboratory (LBNL), 1 Cyclotron Road, Berkeley, CA, 94720, USA

2. Department of Materials Science and Engineering, University of California, Berkeley (UC Berkeley), 210 Hearst Memorial Mining Building, Berkeley, CA, 94720, USA

3. Department of Chemistry, UC Berkeley, 419 Latimer Hall, Berkeley, CA, 94720, USA

4. Energy Storage and Distributed Resources, LBNL, 1 Cyclotron Road, Berkeley, CA, 94720, USA

5. Department of Civil and Environmental Engineering, Princeton University, E209A Engineering Quadrangle, Princeton, New Jersey 08544, USA

6. Microsoft Research, Microsoft Building 99, 14820 NE 36th Street, Redmond, Washington, 98052, USA

7. Molecular Foundry, LBNL, 1 Cyclotron Road, Berkeley, CA, 94720, USA

Abstract

A new infrastructure for computed molecular properties, including a web app and API, is incorporated into the Materials Project, enabling the creation of a database currently containing over 170 000 molecules.

Funder

Kavli Foundation

Lawrence Berkeley National Laboratory

National Science Foundation

Office of Science

Basic Energy Sciences

U.S. Department of Energy

National Energy Research Scientific Computing Center

National Renewable Energy Laboratory

Publisher

Royal Society of Chemistry (RSC)

Cited by 1 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

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