Zobrazeno 1 - 10
of 31
pro vyhledávání: '"Yu VW"'
Autor:
Zhu Y; Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States., Yu VW; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Galli G; Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States.; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States.; Department of Chemistry, University of Chicago, Chicago, Illinois 60637, United States.
Publikováno v:
Nano letters [Nano Lett] 2023 Dec 27; Vol. 23 (24), pp. 11453-11460. Date of Electronic Publication: 2023 Dec 05.
Autor:
Jin Y; Department of Chemistry, University of Chicago, Chicago, Illinois 60637, United States., Yu VW; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Govoni M; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States.; Department of Physics, Computer Science, and Mathematics, University of Modena and Reggio Emilia, Modena 41125, Italy.; Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States., Xu AC; Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States., Galli G; Department of Chemistry, University of Chicago, Chicago, Illinois 60637, United States.; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States.; Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 Dec 12; Vol. 19 (23), pp. 8689-8705. Date of Electronic Publication: 2023 Dec 01.
Autor:
Yu VW; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Govoni M; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States.; Pritzker School of Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2022 Aug 09; Vol. 18 (8), pp. 4690-4707. Date of Electronic Publication: 2022 Aug 01.
Autor:
Hourahine B; SUPA, Department of Physics, The University of Strathclyde, Glasgow G4 0NG, United Kingdom., Aradi B; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany., Blum V; Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA., Bonafé F; Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany., Buccheri A; School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, United Kingdom., Camacho C; School of Chemistry, University of Costa Rica, San José 11501-2060, Costa Rica., Cevallos C; School of Chemistry, University of Costa Rica, San José 11501-2060, Costa Rica., Deshaye MY; Department of Chemistry and Advanced Materials Science and Engineering Center, Western Washington University, Bellingham, Washington 98225, USA., Dumitrică T; Department of Mechanical Engineering, University of Minnesota, Minneapolis, Minnesota 55455, USA., Dominguez A; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany., Ehlert S; University of Bonn, Bonn, Germany., Elstner M; Institute of Physical Chemistry, Karlsruhe Institute of Technology, Karlsruhe, Germany., van der Heide T; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany., Hermann J; Freie Universität Berlin, Berlin, Germany., Irle S; Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA., Jakowski J; Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA., Kranz JJ; Institute of Physical Chemistry, Karlsruhe Institute of Technology, Karlsruhe, Germany., Köhler C; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany., Kowalczyk T; Department of Chemistry and Advanced Materials Science and Engineering Center, Western Washington University, Bellingham, Washington 98225, USA., Kubař T; Institute of Physical Chemistry, Karlsruhe Institute of Technology, Karlsruhe, Germany., Lee IS; Department of Chemistry, Ulsan National Institute of Science and Technology, Ulsan, South Korea., Lutsker V; Institut I-Theoretische Physik, University of Regensburg, Regensburg, Germany., Maurer RJ; Department of Chemistry, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom., Min SK; Department of Chemistry, Ulsan National Institute of Science and Technology, Ulsan, South Korea., Mitchell I; Center for Multidimensional Carbon Materials, Institute of Basic Science, Ulsan, South Korea., Negre C; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA., Niehaus TA; Université de Lyon, Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, F-69622 Villeurbanne, France., Niklasson AMN; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA., Page AJ; School of Environmental and Life Sciences, University of Newcastle, Callaghan, Australia., Pecchia A; CNR-ISMN, Via Salaria km 29,600, 00014 Monterotondo, Rome., Penazzi G; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany., Persson MP; Dassault Systemes, Cambridge, United Kingdom., Řezáč J; Institute of Organic Chemistry and Biochemistry AS CR, Prague, Czech Republic., Sánchez CG; Instituto Interdisciplinario de Ciencias Básicas, Universidad Nacional de Cuyo, CONICET, Facultad de Ciencias Exactas y Naturales, Mendoza, Argentina., Sternberg M; Argonne National Laboratory, Lemont, Illinois 60439, USA., Stöhr M; Department of Physics and Materials Science, University of Luxembourg, Luxembourg City, Luxembourg., Stuckenberg F; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany., Tkatchenko A; Department of Physics and Materials Science, University of Luxembourg, Luxembourg City, Luxembourg., Yu VW; Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA., Frauenheim T; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2022 Jul 21; Vol. 157 (3), pp. 039901.
Autor:
Steger M; National Renewable Energy Laboratory, Golden, CO 80401, USA. mark.steger@nrel.gov., Janke SM; Thomas Lord Department of Mechanical Engineering and Materials Science, Duke University, Durham, NC 27708, USA.; Institute of Advanced Study, University of Warwick, CV4 7AL Coventry, UK.; Department of Chemistry, University of Warwick, Coventry, CV4 7AL, UK., Sercel PC; Center for Hybrid Organic Inorganic Semiconductors for Energy, Golden, CO, 80401, USA., Larson BW; National Renewable Energy Laboratory, Golden, CO 80401, USA. mark.steger@nrel.gov., Lu H; National Renewable Energy Laboratory, Golden, CO 80401, USA. mark.steger@nrel.gov.; Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Hong Kong., Qin X; Thomas Lord Department of Mechanical Engineering and Materials Science, Duke University, Durham, NC 27708, USA., Yu VW; Thomas Lord Department of Mechanical Engineering and Materials Science, Duke University, Durham, NC 27708, USA., Blum V; Thomas Lord Department of Mechanical Engineering and Materials Science, Duke University, Durham, NC 27708, USA.; Department of Chemistry, Duke University, Durham, NC 27708, USA., Blackburn JL; National Renewable Energy Laboratory, Golden, CO 80401, USA. mark.steger@nrel.gov.
Publikováno v:
Nanoscale [Nanoscale] 2022 Jan 20; Vol. 14 (3), pp. 752-765. Date of Electronic Publication: 2022 Jan 20.
Autor:
Yu VW; Thomas Lord Department of Mechanical Engineering, Duke University, Durham, North Carolina 27708, USA., Moussa J; Molecular Sciences Software Institute, Blacksburg, Virginia 24060, USA., Blum V; Thomas Lord Department of Mechanical Engineering, Duke University, Durham, North Carolina 27708, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2021 Jun 14; Vol. 154 (22), pp. 224107.
Autor:
Oliveira MJT; Max Planck Institute for the Structure and Dynamics of Matter, D-22761 Hamburg, Germany., Papior N; DTU Computing Center, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Pouillon Y; Departamento CITIMAC, Universidad de Cantabria, Santander, Spain., Blum V; Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA., Artacho E; CIC Nanogune BRTA and DIPC, 20018 San Sebastián, Spain., Caliste D; Department of Physics, IRIG, Univ. Grenoble Alpes and CEA, F-38000 Grenoble, France., Corsetti F; Departments of Materials and Physics, and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ, United Kingdom., de Gironcoli S; Scuola Internazionale Superiore di Studi Avanzati, 34136 Trieste, Italy., Elena AM; Scientific Computing Department, Daresbury Laboratory, Warrington WA4 4AD, United Kingdom., García A; Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Bellaterra E-08193, Spain., García-Suárez VM; Departamento de Física, Universidad de Oviedo & CINN, 33007 Oviedo, Spain., Genovese L; Department of Physics, IRIG, Univ. Grenoble Alpes and CEA, F-38000 Grenoble, France., Huhn WP; Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA., Huhs G; Barcelona Supercomputing Center (BSC), 08034 Barcelona, Spain., Kokott S; Fritz Haber Institut, 14195 Berlin, Germany., Küçükbenli E; Scuola Internazionale Superiore di Studi Avanzati, 34136 Trieste, Italy., Larsen AH; Simune Atomistics, 20018 San Sebastián, Spain., Lazzaro A; Department of Chemistry, University of Zürich, CH-8057 Zürich, Switzerland., Lebedeva IV; CIC Nanogune BRTA, 20018 San Sebastián, Spain., Li Y; Department of Mathematics, Duke University, Durham, North Carolina 27708-0320, USA., López-Durán D; CIC Nanogune BRTA, 20018 San Sebastián, Spain., López-Tarifa P; Centro de Física de Materiales, Centro Mixto CSIC-UPV/EHU, 20018 San Sebastián, Spain., Lüders M; Max Planck Institute for the Structure and Dynamics of Matter, D-22761 Hamburg, Germany., Marques MAL; Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, 06120 Halle (Saale), Germany., Minar J; New Technologies Research Centre, University of West Bohemia, 301 00 Plzen, Czech Republic., Mohr S; Barcelona Supercomputing Center (BSC), 08034 Barcelona, Spain., Mostofi AA; Departments of Materials and Physics, and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ, United Kingdom., O'Cais A; Institute for Advanced Simulation (IAS), Jülich Supercomputing Centre (JSC), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany., Payne MC; Theory of Condensed Matter, Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE, United Kingdom., Ruh T; Institute of Materials Chemistry, TU Wien, 1060 Vienna, Austria., Smith DGA; Molecular Sciences Software Institute, Blacksburg, Virginia 24060, USA., Soler JM; Departamento e Instituto de Física de la Materia Condensada (IFIMAC), Universidad Autónoma de Madrid, 28049 Madrid, Spain., Strubbe DA; Department of Physics, University of California, Merced, California 95343, USA., Tancogne-Dejean N; Max Planck Institute for the Structure and Dynamics of Matter, D-22761 Hamburg, Germany., Tildesley D; School of Chemistry, University of Southampton, Southampton SO17 1BJ, United Kingdom., Torrent M; CEA, DAM, DIF, F-91297 Arpajon, France., Yu VW; Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2020 Jul 14; Vol. 153 (2), pp. 024117.
Autor:
García A; Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Bellaterra E-08193, Spain., Papior N; DTU Computing Center, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Akhtar A; Catalan Institute of Nanoscience and Nanotechnology - ICN2, CSIC and BIST, Campus UAB, 08193 Bellaterra, Spain., Artacho E; CIC Nanogune BRTA, Tolosa Hiribidea 76, 20018 San Sebastián, Spain., Blum V; Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA., Bosoni E; Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Bellaterra E-08193, Spain., Brandimarte P; Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastian, Spain., Brandbyge M; DTU Physics, Center for Nanostructured Graphene (CNG), Technical University of Denmark, Kgs. Lyngby DK-2800, Denmark., Cerdá JI; Instituto de Ciencia de Materiales de Madrid ICMM-CSIC, Cantoblanco, 28049 Madrid, Spain., Corsetti F; CIC Nanogune BRTA, Tolosa Hiribidea 76, 20018 San Sebastián, Spain., Cuadrado R; Catalan Institute of Nanoscience and Nanotechnology - ICN2, CSIC and BIST, Campus UAB, 08193 Bellaterra, Spain., Dikan V; Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Bellaterra E-08193, Spain., Ferrer J; Department of Physics, University of Oviedo, Oviedo 33007, Spain., Gale J; Curtin Institute for Computation, Institute for Geoscience Research (TIGeR), School of Molecular and Life Sciences, Curtin University, P.O. Box U1987, Perth, WA 6845, Australia., García-Fernández P; Departamento de Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Cantabria Campus Internacional, Avenida de los Castros s/n, 39005 Santander, Spain., García-Suárez VM; Department of Physics, University of Oviedo, Oviedo 33007, Spain., García S; Catalan Institute of Nanoscience and Nanotechnology - ICN2, CSIC and BIST, Campus UAB, 08193 Bellaterra, Spain., Huhs G; Barcelona Supercomputing Center, c/Jordi Girona, 29, 08034 Barcelona, Spain., Illera S; Catalan Institute of Nanoscience and Nanotechnology - ICN2, CSIC and BIST, Campus UAB, 08193 Bellaterra, Spain., Korytár R; Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16 Praha 2, Czech Republic., Koval P; Simune Atomistics S.L., Tolosa Hiribidea, 76, 20018 Donostia-San Sebastian, Spain., Lebedeva I; CIC Nanogune BRTA, Tolosa Hiribidea 76, 20018 San Sebastián, Spain., Lin L; Department of Mathematics, University of California, Berkeley, California 94720, USA., López-Tarifa P; Centro de Física de Materiales, Centro Mixto CSIC-UPV/EHU, Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastian, Spain., Mayo SG; Departamento de Física de la Materia Condensada, Universidad Autónoma de Madrid, 28049 Madrid, Spain., Mohr S; Barcelona Supercomputing Center, c/Jordi Girona, 29, 08034 Barcelona, Spain., Ordejón P; Catalan Institute of Nanoscience and Nanotechnology - ICN2, CSIC and BIST, Campus UAB, 08193 Bellaterra, Spain., Postnikov A; LCP-A2MC, Université de Lorraine, 1 Bd Arago, F-57078 Metz, France., Pouillon Y; Departamento de Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Cantabria Campus Internacional, Avenida de los Castros s/n, 39005 Santander, Spain., Pruneda M; Catalan Institute of Nanoscience and Nanotechnology - ICN2, CSIC and BIST, Campus UAB, 08193 Bellaterra, Spain., Robles R; Centro de Física de Materiales, Centro Mixto CSIC-UPV/EHU, Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastian, Spain., Sánchez-Portal D; Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastian, Spain., Soler JM; Departamento de Física de la Materia Condensada, Universidad Autónoma de Madrid, 28049 Madrid, Spain., Ullah R; CIC Nanogune BRTA, Tolosa Hiribidea 76, 20018 San Sebastián, Spain., Yu VW; Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA., Junquera J; Departamento de Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Cantabria Campus Internacional, Avenida de los Castros s/n, 39005 Santander, Spain.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2020 May 29; Vol. 152 (20), pp. 204108.
Autor:
Hourahine B; SUPA, Department of Physics, The University of Strathclyde, Glasgow G4 0NG, United Kingdom., Aradi B; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany., Blum V; Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA., Bonafé F; Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany., Buccheri A; School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, United Kingdom., Camacho C; School of Chemistry, University of Costa Rica, San José 11501-2060, Costa Rica., Cevallos C; School of Chemistry, University of Costa Rica, San José 11501-2060, Costa Rica., Deshaye MY; Department of Chemistry and Advanced Materials Science and Engineering Center, Western Washington University, Bellingham, Washington 98225, USA., Dumitrică T; Department of Mechanical Engineering, University of Minnesota, Minneapolis, Minnesota 55455, USA., Dominguez A; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany., Ehlert S; University of Bonn, Bonn, Germany., Elstner M; Institute of Physical Chemistry, Karlsruhe Institute of Technology, Karlsruhe, Germany., van der Heide T; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany., Hermann J; Freie Universität Berlin, Berlin, Germany., Irle S; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA., Kranz JJ; Institute of Physical Chemistry, Karlsruhe Institute of Technology, Karlsruhe, Germany., Köhler C; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany., Kowalczyk T; Department of Chemistry and Advanced Materials Science and Engineering Center, Western Washington University, Bellingham, Washington 98225, USA., Kubař T; Institute of Physical Chemistry, Karlsruhe Institute of Technology, Karlsruhe, Germany., Lee IS; Department of Chemistry, Ulsan National Institute of Science and Technology, Ulsan, South Korea., Lutsker V; Institut I - Theoretische Physik, University of Regensburg, Regensburg, Germany., Maurer RJ; Department of Chemistry, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom., Min SK; Department of Chemistry, Ulsan National Institute of Science and Technology, Ulsan, South Korea., Mitchell I; Center for Multidimensional Carbon Materials, Institute for Basic Science (IBS), Ulsan 44919, South Korea., Negre C; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA., Niehaus TA; Université de Lyon, Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, F-69622 Villeurbanne, France., Niklasson AMN; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA., Page AJ; School of Environmental and Life Sciences, University of Newcastle, Callaghan, Australia., Pecchia A; CNR-ISMN, Via Salaria km 29.300, 00015 Monterotondo Stazione, Rome, Italy., Penazzi G; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany., Persson MP; Dassault Systemes, Cambridge, United Kingdom., Řezáč J; Institute of Organic Chemistry and Biochemistry AS CR, Prague, Czech Republic., Sánchez CG; Instituto Interdisciplinario de Ciencias Básicas, Universidad Nacional de Cuyo, CONICET, Facultad de Ciencias Exactas y Naturales, Mendoza, Argentina., Sternberg M; Argonne National Laboratory, Lemont, Illinois 60439, USA., Stöhr M; Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg., Stuckenberg F; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany., Tkatchenko A; Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg., Yu VW; Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA., Frauenheim T; Bremen Center for Computational Materials Science, University of Bremen, Bremen, Germany.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2020 Mar 31; Vol. 152 (12), pp. 124101.
Autor:
Hekmatnejad B; Research Centre, Shriners Hospital for Children-Canada, Montreal, Quebec, Canada.; Departments of Human Genetics, McGill University, Montreal, Quebec, Canada., Yu VW; Research Centre, Shriners Hospital for Children-Canada, Montreal, Quebec, Canada.; Departments of Human Genetics, McGill University, Montreal, Quebec, Canada., Addison W; Research Centre, Shriners Hospital for Children-Canada, Montreal, Quebec, Canada., Mandic V; Research Centre, Shriners Hospital for Children-Canada, Montreal, Quebec, Canada., Pellicelli M; Research Centre, Shriners Hospital for Children-Canada, Montreal, Quebec, Canada.; Departments of Human Genetics, McGill University, Montreal, Quebec, Canada., Arabian A; Research Centre, Shriners Hospital for Children-Canada, Montreal, Quebec, Canada., St-Arnaud R; Research Centre, Shriners Hospital for Children-Canada, Montreal, Quebec, Canada.; Departments of Human Genetics, McGill University, Montreal, Quebec, Canada.
Publikováno v:
Endocrinology [Endocrinology] 2017 Feb 01; Vol. 158 (2), pp. 264-276.