Zobrazeno 1 - 10
of 30
pro vyhledávání: '"Goings JJ"'
Autor:
Williams-Young, DB, Petrone, A, Sun, S, Stetina, TF, Lestrange, P, Hoyer, CE, Nascimento, DR, Koulias, L, Wildman, A, Kasper, J, Goings, JJ, Ding, F, DePrince, AE, Valeev, EF, Li, X
Publikováno v:
Wiley Interdisciplinary Reviews Computational Molecular Science, vol 10, iss 2
Wiley Interdisciplinary Reviews: Computational Molecular Science, vol 10, iss 2
Wiley Interdisciplinary Reviews: Computational Molecular Science, vol 10, iss 2
The Chronus Quantum (ChronusQ) software package is an open source (under the GNU General Public License v2) software infrastructure which targets the solution of challenging problems that arise in ab initio electronic structure theory. Special emphas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::02eb20adaaf08124a5fe8b0deb7d88bb
https://escholarship.org/uc/item/36f1p562
https://escholarship.org/uc/item/36f1p562
Autor:
Goings JJ; Google Quantum AI, Google Research, Venice, CA 90291., White A; Quantum Simulation Technologies, Inc., Boston, MA 02135., Lee J; Google Quantum AI, Google Research, Venice, CA 90291.; Department of Chemistry, Columbia University, New York, NY 10027., Tautermann CS; Medicinal Chemistry, Boehringer Ingelheim Pharma GmbH & Co KG, 88397 Biberach, Germany.; Department of General, Inorganic, and Theoretical Chemistry, University of Innsbruck, 6020 Innsbruck, Austria., Degroote M; Quantum Lab, Boehringer Ingelheim, 55218 Ingelheim am Rhein, Germany., Gidney C; Google Quantum AI, Google Research, Venice, CA 90291., Shiozaki T; Quantum Simulation Technologies, Inc., Boston, MA 02135., Babbush R; Google Quantum AI, Google Research, Venice, CA 90291., Rubin NC; Google Quantum AI, Google Research, Venice, CA 90291.
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2022 Sep 20; Vol. 119 (38), pp. e2203533119. Date of Electronic Publication: 2022 Sep 12.
Autor:
Mills AW; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States., Goings JJ; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States., Beck D; Department of Chemical Engineering, University of Washington, Seattle, Washington 98195, United States., Yang C; Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States., Li X; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.
Publikováno v:
Journal of chemical information and modeling [J Chem Inf Model] 2022 Jul 11; Vol. 62 (13), pp. 3169-3179. Date of Electronic Publication: 2022 Jun 16.
Autor:
Lachowicz A; Sterling Chemistry Laboratory, Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA., Perez EH; Sterling Chemistry Laboratory, Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA., Shuman NS; Air Force Research Laboratory, Space Vehicles Directorate, Kirtland AFB, Albuquerque, New Mexico 87117, USA., Ard SG; Air Force Research Laboratory, Space Vehicles Directorate, Kirtland AFB, Albuquerque, New Mexico 87117, USA., Viggiano AA; Air Force Research Laboratory, Space Vehicles Directorate, Kirtland AFB, Albuquerque, New Mexico 87117, USA., Armentrout PB; Department of Chemistry, University of Utah, Salt Lake City, Utah 84112, USA., Goings JJ; Department of Chemistry, University of Washington, Seattle, Washington 98195, USA., Sharma P; Department of Chemistry, University of Washington, Seattle, Washington 98195, USA., Li X; Department of Chemistry, University of Washington, Seattle, Washington 98195, USA., Johnson MA; Sterling Chemistry Laboratory, Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2021 Nov 07; Vol. 155 (17), pp. 174303.
Autor:
Goings JJ; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States., Hu H; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States., Yang C; Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States., Li X; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2021 Sep 14; Vol. 17 (9), pp. 5482-5491. Date of Electronic Publication: 2021 Aug 23.
Autor:
Guerra WD; School of Molecular Sciences, Arizona State University, Tempe, Arizona 85287-1604, United States., Odella E; School of Molecular Sciences, Arizona State University, Tempe, Arizona 85287-1604, United States., Secor M; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States., Goings JJ; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States., Urrutia MN; School of Molecular Sciences, Arizona State University, Tempe, Arizona 85287-1604, United States., Wadsworth BL; School of Molecular Sciences, Arizona State University, Tempe, Arizona 85287-1604, United States., Gervaldo M; Departamento de Química, Facultad de Ciencias Exactas, Físico-Químicas y Naturales, Universidad Nacional de Río Cuarto, Agencia Postal No. 3, 5800 Río Cuarto, Córdoba, Argentina., Sereno LE; Departamento de Química, Facultad de Ciencias Exactas, Físico-Químicas y Naturales, Universidad Nacional de Río Cuarto, Agencia Postal No. 3, 5800 Río Cuarto, Córdoba, Argentina., Moore TA; School of Molecular Sciences, Arizona State University, Tempe, Arizona 85287-1604, United States., Moore GF; School of Molecular Sciences, Arizona State University, Tempe, Arizona 85287-1604, United States., Hammes-Schiffer S; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States., Moore AL; School of Molecular Sciences, Arizona State University, Tempe, Arizona 85287-1604, United States.
Publikováno v:
Journal of the American Chemical Society [J Am Chem Soc] 2020 Dec 30; Vol. 142 (52), pp. 21842-21851. Date of Electronic Publication: 2020 Dec 18.
Autor:
Goings JJ; Department of Chemistry, Yale University, New Haven, CT 06520., Li P; Department of Chemistry, Yale University, New Haven, CT 06520., Zhu Q; Department of Chemistry, Yale University, New Haven, CT 06520., Hammes-Schiffer S; Department of Chemistry, Yale University, New Haven, CT 06520 sharon.hammes-schiffer@yale.edu.
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2020 Oct 27; Vol. 117 (43), pp. 26626-26632. Date of Electronic Publication: 2020 Oct 09.
Autor:
Goings JJ; Department of Chemistry, Yale University, 225 Prospect Street, New Haven, Connecticut 06520, United States., Hammes-Schiffer S; Department of Chemistry, Yale University, 225 Prospect Street, New Haven, Connecticut 06520, United States.
Publikováno v:
ACS central science [ACS Cent Sci] 2020 Sep 23; Vol. 6 (9), pp. 1594-1601. Date of Electronic Publication: 2020 Sep 08.
Autor:
Odella E; School of Molecular Sciences, Arizona State University Tempe Arizona 85287-1604 USA gary.f.moore@asu.edu amoore@asu.edu., Mora SJ; School of Molecular Sciences, Arizona State University Tempe Arizona 85287-1604 USA gary.f.moore@asu.edu amoore@asu.edu., Wadsworth BL; School of Molecular Sciences, Arizona State University Tempe Arizona 85287-1604 USA gary.f.moore@asu.edu amoore@asu.edu., Goings JJ; Department of Chemistry, Yale University New Haven Connecticut 06520-8107 USA sharon.hammes-schiffer@yale.edu., Gervaldo MA; Departamento de Química, Facultad de Ciencias Exactas, Físico-Químicas y Naturales, Universidad Nacional de Río Cuarto Agencia Postal No 3 5800 Río Cuarto Córdoba Argentina., Sereno LE; Departamento de Química, Facultad de Ciencias Exactas, Físico-Químicas y Naturales, Universidad Nacional de Río Cuarto Agencia Postal No 3 5800 Río Cuarto Córdoba Argentina., Groy TL; School of Molecular Sciences, Arizona State University Tempe Arizona 85287-1604 USA gary.f.moore@asu.edu amoore@asu.edu., Gust D; School of Molecular Sciences, Arizona State University Tempe Arizona 85287-1604 USA gary.f.moore@asu.edu amoore@asu.edu., Moore TA; School of Molecular Sciences, Arizona State University Tempe Arizona 85287-1604 USA gary.f.moore@asu.edu amoore@asu.edu., Moore GF; School of Molecular Sciences, Arizona State University Tempe Arizona 85287-1604 USA gary.f.moore@asu.edu amoore@asu.edu., Hammes-Schiffer S; Department of Chemistry, Yale University New Haven Connecticut 06520-8107 USA sharon.hammes-schiffer@yale.edu., Moore AL; School of Molecular Sciences, Arizona State University Tempe Arizona 85287-1604 USA gary.f.moore@asu.edu amoore@asu.edu.
Publikováno v:
Chemical science [Chem Sci] 2020 Mar 20; Vol. 11 (15), pp. 3820-3828. Date of Electronic Publication: 2020 Mar 20.
Autor:
Goings JJ; Department of Chemistry , Yale University , 225 Prospect Street , New Haven , Connecticut 06520 , United States., Hammes-Schiffer S; Department of Chemistry , Yale University , 225 Prospect Street , New Haven , Connecticut 06520 , United States.
Publikováno v:
Journal of the American Chemical Society [J Am Chem Soc] 2019 Dec 26; Vol. 141 (51), pp. 20470-20479. Date of Electronic Publication: 2019 Dec 10.