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pro vyhledávání: '"Vila FD"'
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Akademický článek
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Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Autor:
Bylaska EJ; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA., Panyala A; Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA., Bauman NP; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA., Peng B; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA., Pathak H; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA., Mejia-Rodriguez D; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA., Govind N; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA., Williams-Young DB; Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA., Aprà E; Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, USA., Bagusetty A; Argonne Leadership Computing Facility, Argonne National Laboratory, 9700 South Cass Avenue, Building 240, Argonne, Illinois 60439, USA., Mutlu E; Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA., Jackson KA; Physics Department, Central Michigan University, Mt. Pleasant, Michigan 48859, USA., Baruah T; Department of Physics, University of Texas at El Paso, El Paso, Texas 79968, USA., Yamamoto Y; Department of Physics, University of Texas at El Paso, El Paso, Texas 79968, USA., Pederson MR; Department of Physics, University of Texas at El Paso, El Paso, Texas 79968, USA., Withanage KPK; Department of Physics, University of Texas at El Paso, El Paso, Texas 79968, USA., Pedroza-Montero JN; Department of Physics, University of Texas at El Paso, El Paso, Texas 79968, USA., Bilbrey JA; Artificial Intelligence and Data Analytics Division, Pacific Northwest National Laboratory, Richland, Washington 99352, USA., Choudhury S; Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA., Firoz J; Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA., Herman KM; Department of Chemistry, University of Washington, Seattle, Washington 98195, USA., Xantheas SS; Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA.; Department of Chemistry, University of Washington, Seattle, Washington 98195, USA., Rigor P; Center for Cloud Computing, Pacific Northwest National Laboratory, Richland, Washington 99354, USA., Vila FD; Department of Physics, University of Washington, Seattle, Washington 98195, USA., Rehr JJ; Department of Physics, University of Washington, Seattle, Washington 98195, USA., Fung M; Microsoft Azure Quantum, Redmond, Washington 98052, USA., Grofe A; Microsoft Azure Quantum, Redmond, Washington 98052, USA., Johnston C; Microsoft Azure Quantum, Redmond, Washington 98052, USA., Baker N; Microsoft Azure Quantum, Redmond, Washington 98052, USA., Kaneko K; Microsoft Azure Quantum, Redmond, Washington 98052, USA., Liu H; Microsoft Azure Quantum, Redmond, Washington 98052, USA., Kowalski K; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2024 Oct 21; Vol. 161 (15).
Autor:
Chen Y; Department of Chemical Engineering, University of California Davis California 95616 USA arkulkarni@ucdavis.edu bcgates@ucdavis.edu., Rana R; Department of Chemical Engineering, University of California Davis California 95616 USA arkulkarni@ucdavis.edu bcgates@ucdavis.edu., Zhang Y; School of Materials Engineering, Purdue University West Lafayette Indiana 47907 USA., Hoffman AS; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory Menlo Park California 94025 USA srbare@slac.stanford.edu., Huang Z; Oak Ridge National Laboratory Oak Ridge Tennessee 37830 USA., Yang B; School of Materials Engineering, Purdue University West Lafayette Indiana 47907 USA., Vila FD; Department of Physics, University of Washington Seattle Washington 98195 USA., Perez-Aguilar JE; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory Menlo Park California 94025 USA srbare@slac.stanford.edu., Hong J; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory Menlo Park California 94025 USA srbare@slac.stanford.edu., Li X; National Research Center for Physical Sciences at the Microscale, CAS Key Laboratory of Strongly-Coupled Quantum Matter Physics, Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutes, Department of Chemical Physics, University of Science and Technology of China Hefei Anhui 230026 P. R. China., Zeng J; National Research Center for Physical Sciences at the Microscale, CAS Key Laboratory of Strongly-Coupled Quantum Matter Physics, Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutes, Department of Chemical Physics, University of Science and Technology of China Hefei Anhui 230026 P. R. China., Chi M; Oak Ridge National Laboratory Oak Ridge Tennessee 37830 USA., Kronawitter CX; Department of Chemical Engineering, University of California Davis California 95616 USA arkulkarni@ucdavis.edu bcgates@ucdavis.edu., Wang H; School of Materials Engineering, Purdue University West Lafayette Indiana 47907 USA., Bare SR; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory Menlo Park California 94025 USA srbare@slac.stanford.edu., Kulkarni AR; Department of Chemical Engineering, University of California Davis California 95616 USA arkulkarni@ucdavis.edu bcgates@ucdavis.edu., Gates BC; Department of Chemical Engineering, University of California Davis California 95616 USA arkulkarni@ucdavis.edu bcgates@ucdavis.edu.
Publikováno v:
Chemical science [Chem Sci] 2024 Apr 04; Vol. 15 (17), pp. 6454-6464. Date of Electronic Publication: 2024 Apr 04 (Print Publication: 2024).
Autor:
Vila FD; Department of Physics, University of Washington, Seattle, Washington 98195, United States., Rehr JJ; Department of Physics, University of Washington, Seattle, Washington 98195, United States., Kowalski K; William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352, United States., Peng B; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2024 Mar 12; Vol. 20 (5), pp. 1796-1801. Date of Electronic Publication: 2024 Feb 29.
Autor:
Filardi LR; Department of Chemical Engineering, University of California, Davis, Davis, California 95616, United States., Vila FD; Department of Physics, University of Washington, Seattle, Washington 98195, United States., Hong J; SSRL, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States., Hoffman AS; SSRL, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States., Perez-Aguilar JE; SSRL, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States., Bare SR; SSRL, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States., Runnebaum RC; Department of Chemical Engineering, University of California, Davis, Davis, California 95616, United States.; Department of Viticulture & Enology, University of California, Davis, Davis, California 95616, United States., Kronawitter CX; Department of Chemical Engineering, University of California, Davis, Davis, California 95616, United States.
Publikováno v:
The journal of physical chemistry. C, Nanomaterials and interfaces [J Phys Chem C Nanomater Interfaces] 2024 Jan 10; Vol. 128 (3), pp. 1165-1176. Date of Electronic Publication: 2024 Jan 10 (Print Publication: 2024).
Autor:
Mejia-Rodriguez D; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Aprà E; Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Autschbach J; Department of Chemistry, University at Buffalo, State University of New York, Buffalo, New York 14260-3000, United States., Bauman NP; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Bylaska EJ; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Govind N; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Hammond JR; Accelerated Computing, NVIDIA Helsinki Oy, Porkkalankatu 1, 00180 Helsinki, Finland., Kowalski K; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Kunitsa A; Zapata Computing, Inc., 100 Federal Street, Boston, Massachusetts 02110, United States., Panyala A; Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Peng B; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Rehr JJ; Department of Physics, University of Washington, Seattle, Washington 98195, United States., Song H; Physics and Chemistry of Materials, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States., Tretiak S; Physics and Chemistry of Materials, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.; Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States., Valiev M; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Vila FD; Department of Physics, University of Washington, Seattle, Washington 98195, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 Oct 24; Vol. 19 (20), pp. 7077-7096. Date of Electronic Publication: 2023 Jul 17.
Autor:
Ostervold L; Department of Chemical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States., Smerigan A; Department of Chemical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States., Liu MJ; Department of Chemical Engineering, Stanford University, Stanford, California 94305, United States., Filardi LR; Department of Chemical Engineering, University of California, Davis, Davis, California 95616, United States., Vila FD; Department of Physics, University of Washington, Seattle, Washington 98195, United States., Perez-Aguilar JE; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States., Hong J; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States., Tarpeh WA; Department of Chemical Engineering, Stanford University, Stanford, California 94305, United States., Hoffman AS; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States., Greenlee LF; Department of Chemical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States., Clark EL; Department of Chemical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States., Janik MJ; Department of Chemical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States., Bare SR; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
Publikováno v:
ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2023 Oct 11; Vol. 15 (40), pp. 47025-47036. Date of Electronic Publication: 2023 Sep 27.
Autor:
Smerigan A; Department of Chemical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States., Biswas S; Department of Chemical and Biomolecular Engineering, Clemson University, Clemson, South Carolina 29634, United States., Vila FD; Department of Physics, University of Washington, Seattle, Washington 98195, United States., Hong J; SSRL, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States., Perez-Aguilar J; SSRL, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States., Hoffman AS; SSRL, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States., Greenlee L; Department of Chemical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States., Getman RB; Department of Chemical and Biomolecular Engineering, Clemson University, Clemson, South Carolina 29634, United States., Bare SR; SSRL, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
Publikováno v:
Inorganic chemistry [Inorg Chem] 2023 Sep 11; Vol. 62 (36), pp. 14523-14532. Date of Electronic Publication: 2023 Aug 25.