Recent developments in the general atomic and molecular electronic structure system

Author:

Barca Giuseppe M. J.1ORCID,Bertoni Colleen2,Carrington Laura3,Datta Dipayan4ORCID,De Silva Nuwan5ORCID,Deustua J. Emiliano6ORCID,Fedorov Dmitri G.7ORCID,Gour Jeffrey R.8,Gunina Anastasia O.4ORCID,Guidez Emilie9ORCID,Harville Taylor4,Irle Stephan10ORCID,Ivanic Joe11ORCID,Kowalski Karol12ORCID,Leang Sarom S.3,Li Hui13,Li Wei14,Lutz Jesse J.15,Magoulas Ilias6ORCID,Mato Joani4,Mironov Vladimir16ORCID,Nakata Hiroya17,Pham Buu Q.4,Piecuch Piotr618ORCID,Poole David4,Pruitt Spencer R.4,Rendell Alistair P.1,Roskop Luke B.19,Ruedenberg Klaus4,Sattasathuchana Tosaporn4,Schmidt Michael W.4,Shen Jun6ORCID,Slipchenko Lyudmila20ORCID,Sosonkina Masha21,Sundriyal Vaibhav21,Tiwari Ananta3,Galvez Vallejo Jorge L.4,Westheimer Bryce4ORCID,Włoch Marta22,Xu Peng4,Zahariev Federico4ORCID,Gordon Mark S.4ORCID

Affiliation:

1. Research School of Computer Science, Australian National University, Canberra, ACT 2601, Australia

2. Argonne Leadership Computing Facility, Argonne National Laboratory, Lemont, Illinois 60439, USA

3. EP Analytics, 12121 Scripps Summit Dr. Ste. 130, San Diego, California 92131, USA

4. Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA

5. Department of Physical and Biological Sciences, Western New England University, Springfield, Massachusetts 01119, USA

6. Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA

7. Research Center for Computational Design of Advanced Functional Materials (CD-FMat), National Institute of Advanced Industrial Science and Technology (AIST), Umezono 1-1-1, Tsukuba 305-8568, Japan

8. Microsoft, 15590 NE 31st St., Redmond, Washington 98052, USA

9. Department of Chemistry, University of Colorado Denver, Denver, Colorado 80217, USA

10. Computational Science and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, USA

11. Advanced Biomedical Computational Science, Frederick National Laboratory for Cancer Research, Frederick, Maryland 21702, USA

12. Physical Sciences Division, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352, USA

13. Department of Chemistry, University of Nebraska, Lincoln, Nebraska 68588, USA

14. School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of Ministry of Education, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210023, People’s Republic of China

15. Center for Computing Research, Sandia National Laboratories, Albuquerque, New Mexico 87185, USA

16. Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1/3, Moscow 119991, Russian Federation

17. Kyocera Corporation, Research Institute for Advanced Materials and Devices, 3-5-3 Hikaridai Seika-cho, Souraku-gun, Kyoto 619-0237, Japan

18. Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824, USA

19. Cray Inc., a Hewlett Packard Enterprise Company, 2131 Lindau Ln #1000, Bloomington, Minnesota 55425, USA

20. Department of Chemistry, Purdue University, West Lafayette, Indiana 47907, USA

21. Department of Computational Modeling and Simulation Engineering, Old Dominion University, Norfolk, Virginia 23529, USA

22. 530 Charlesina Dr., Rochester, Michigan 48306, USA

Funder

US Department of Energy

IBM Corp

U.S. Department of Defense

Nvidia

US Air Force Office of Scientific Research

Intel Corporation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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