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Recent developments in the general atomic and molecular electronic structure system.
Barca, Giuseppe M J; Bertoni, Colleen; Carrington, Laura; Datta, Dipayan; De Silva, Nuwan; Deustua, J Emiliano; Fedorov, Dmitri G; Gour, Jeffrey R; Gunina, Anastasia O; Guidez, Emilie; Harville, Taylor; Irle, Stephan; Ivanic, Joe; Kowalski, Karol; Leang, Sarom S; Li, Hui; Li, Wei; Lutz, Jesse J; Magoulas, Ilias; Mato, Joani; Mironov, Vladimir; Nakata, Hiroya; Pham, Buu Q; Piecuch, Piotr; Poole, David; Pruitt, Spencer R; Rendell, Alistair P; Roskop, Luke B; Ruedenberg, Klaus; Sattasathuchana, Tosaporn; Schmidt, Michael W; Shen, Jun; Slipchenko, Lyudmila; Sosonkina, Masha; Sundriyal, Vaibhav; Tiwari, Ananta; Galvez Vallejo, Jorge L; Westheimer, Bryce; Wloch, Marta; Xu, Peng; Zahariev, Federico; Gordon, Mark S.
Afiliación
  • Barca GMJ; Research School of Computer Science, Australian National University, Canberra, ACT 2601, Australia.
  • Bertoni C; Argonne Leadership Computing Facility, Argonne National Laboratory, Lemont, Illinois 60439, USA.
  • Carrington L; EP Analytics, 12121 Scripps Summit Dr. Ste. 130, San Diego, California 92131, USA.
  • Datta D; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • De Silva N; Department of Physical and Biological Sciences, Western New England University, Springfield, Massachusetts 01119, USA.
  • Deustua JE; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
  • Fedorov DG; 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.
  • Gour JR; Microsoft, 15590 NE 31st St., Redmond, Washington 98052, USA.
  • Gunina AO; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • Guidez E; Department of Chemistry, University of Colorado Denver, Denver, Colorado 80217, USA.
  • Harville T; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • Irle S; Computational Science and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, USA.
  • Ivanic J; Advanced Biomedical Computational Science, Frederick National Laboratory for Cancer Research, Frederick, Maryland 21702, USA.
  • Kowalski K; Physical Sciences Division, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352, USA.
  • Leang SS; EP Analytics, 12121 Scripps Summit Dr. Ste. 130, San Diego, California 92131, USA.
  • Li H; Department of Chemistry, University of Nebraska, Lincoln, Nebraska 68588, USA.
  • Li W; 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.
  • Lutz JJ; Center for Computing Research, Sandia National Laboratories, Albuquerque, New Mexico 87185, USA.
  • Magoulas I; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
  • Mato J; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • Mironov V; Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1/3, Moscow 119991, Russian Federation.
  • Nakata H; Kyocera Corporation, Research Institute for Advanced Materials and Devices, 3-5-3 Hikaridai Seika-cho, Souraku-gun, Kyoto 619-0237, Japan.
  • Pham BQ; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • Piecuch P; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
  • Poole D; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • Pruitt SR; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • Rendell AP; Research School of Computer Science, Australian National University, Canberra, ACT 2601, Australia.
  • Roskop LB; Cray Inc., a Hewlett Packard Enterprise Company, 2131 Lindau Ln #1000, Bloomington, Minnesota 55425, USA.
  • Ruedenberg K; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • Sattasathuchana T; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • Schmidt MW; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • Shen J; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
  • Slipchenko L; Department of Chemistry, Purdue University, West Lafayette, Indiana 47907, USA.
  • Sosonkina M; Department of Computational Modeling and Simulation Engineering, Old Dominion University, Norfolk, Virginia 23529, USA.
  • Sundriyal V; Department of Computational Modeling and Simulation Engineering, Old Dominion University, Norfolk, Virginia 23529, USA.
  • Tiwari A; EP Analytics, 12121 Scripps Summit Dr. Ste. 130, San Diego, California 92131, USA.
  • Galvez Vallejo JL; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • Westheimer B; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • Wloch M; 530 Charlesina Dr., Rochester, Michigan 48306, USA.
  • Xu P; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • Zahariev F; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
  • Gordon MS; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.
J Chem Phys ; 152(15): 154102, 2020 Apr 21.
Article en En | MEDLINE | ID: mdl-32321259
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2020 Tipo del documento: Article País de afiliación: Australia Pais de publicación: Estados Unidos
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2020 Tipo del documento: Article País de afiliación: Australia Pais de publicación: Estados Unidos