Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Nápoles Duarte JM"'
Autor:
Evans ML; UCLouvain, Institut de la Matière Condensée et des Nanosciences (IMCN) Chemin des Étoiles 8, Louvain-la-Neuve 1348 Belgium gian-marco.rignanese@uclouvain.be.; Matgenix SRL 185 Rue Armand Bury 6534 Gozée Belgium., Bergsma J; Centre Européen de Calcul Atomique et Moléculaire (CECAM), École Polytechnique Fédérale de Lausanne Avenue de Forel 3 1015 Lausanne Switzerland., Merkys A; Institute of Biotechnology, Life Sciences Center, Vilnius University Saulėtekio av. 7 LT-10257 Vilnius Lithuania., Andersen CW; SINTEF P.O. Box 4760 Torgarden NO-7465 Trondheim Norway., Andersson OB; Materials Design and Informatics Unit, Department of Physics, Chemistry and Biology, Linköping University Sweden rickard.armiento@liu.se., Beltrán D; Institute for Research in Biomedicine (IRB Barcelona) Baldiri i Reixac 10-12 08028 Barcelona Spain., Blokhin E; Tilde Materials Informatics Straßmannstraße 25 10249 Berlin Germany.; Materials Platform for Data Science Sepapaja 6 15551 Tallinn Estonia., Boland TM; Computational Atomic-Scale Materials Design, Technical University of Denmark Kgs. Lyngby Denmark., Castañeda Balderas R; Centro de Investigación en Materiales Avanzados, S.C. (CIMAV) Av. Miguel de Cervantes 120, Complejo Industrial Chihuahua 31136 Chihuahua Chih. Mexico., Choudhary K; Material Measurement Laboratory, National Institute of Standards and Technology Gaithersburg MD 20899 USA., Díaz Díaz A; Centro de Investigación en Materiales Avanzados, S.C. (CIMAV) Av. Miguel de Cervantes 120, Complejo Industrial Chihuahua 31136 Chihuahua Chih. Mexico., Domínguez García R; Centro de Investigación en Materiales Avanzados, S.C. (CIMAV) Av. Miguel de Cervantes 120, Complejo Industrial Chihuahua 31136 Chihuahua Chih. Mexico., Eckert H; Department of Mechanical Engineering and Materials Science, Duke University Durham NC 27708 USA.; Center for Extreme Materials, Duke University Durham NC 27708 USA., Eimre K; Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne 1015 Lausanne Switzerland., Fuentes Montero ME; Universidad Autónoma de Chihuahua, Facultad de Ciencias Quimicas 31125 Chihuahua Mexico., Krajewski AM; Department of Materials Science and Engineering, The Pennsylvania State University, University Park PA 16802 USA., Mortensen JJ; Computational Atomic-Scale Materials Design, Technical University of Denmark Kgs. Lyngby Denmark., Nápoles Duarte JM; Universidad Autónoma de Chihuahua, Facultad de Ciencias Quimicas 31125 Chihuahua Mexico., Pietryga J; Department of Materials Science and Engineering, Northwestern University Evanston IL 60208 USA., Qi J; Department of NanoEngineering, University of California, San Diego 9500 Gilman Drive, La Jolla California 92093-0448 USA., Trejo Carrillo FJ; Centro de Investigación en Materiales Avanzados, S.C. (CIMAV) Av. Miguel de Cervantes 120, Complejo Industrial Chihuahua 31136 Chihuahua Chih. Mexico., Vaitkus A; Institute of Biotechnology, Life Sciences Center, Vilnius University Saulėtekio av. 7 LT-10257 Vilnius Lithuania., Yu J; Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne 1015 Lausanne Switzerland.; Laboratory for Materials Simulations (LMS), Paul Scherrer Institute (PSI) 5232 Villigen PSI Switzerland., Zettel A; Department of Mechanical Engineering and Materials Science, Duke University Durham NC 27708 USA.; Center for Extreme Materials, Duke University Durham NC 27708 USA., de Castro PB; National Institute for Materials Science 1-2-1 Sengen Tsukuba Ibaraki 305-0047 Japan., Carlsson J; Dassault Systèmes Germany GmbH Am Kabellager 11-13 51063 Cologne Germany., Cerqueira TFT; CFisUC, Department of Physics, University of Coimbra Rua Larga 3004-516 Coimbra Portugal., Divilov S; Department of Mechanical Engineering and Materials Science, Duke University Durham NC 27708 USA.; Center for Extreme Materials, Duke University Durham NC 27708 USA., Hajiyani H; Dassault Systèmes Germany GmbH Am Kabellager 11-13 51063 Cologne Germany., Hanke F; Dassault Systèmes 22 Science Park CB4 0FJ UK., Jose K; Theory of Condensed Matter, Cavendish Laboratory Cambridge UK., Oses C; Department of Materials Science and Engineering, Johns Hopkins University Baltimore MD 21218 USA., Riebesell J; Theory of Condensed Matter, Cavendish Laboratory Cambridge UK.; Lawrence Berkeley National Lab Berkeley CA USA., Schmidt J; Materials Theory, ETH Zürich Wolfgang-Pauli-Strasse 27 8093 Zurich Switzerland., Winston D; Polyneme LLC New York NY 10038 USA., Xie C; Department of NanoEngineering, University of California, San Diego 9500 Gilman Drive, La Jolla California 92093-0448 USA., Yang X; Computer Network Information Center, Chinese Academy of Sciences Beijing 100083 China.; University of Chinese Academy of Sciences Beijing 101408 China.; Beijing MaiGao MatCloud Technology Co. Ltd Beijing 100149 China., Bonella S; Centre Européen de Calcul Atomique et Moléculaire (CECAM), École Polytechnique Fédérale de Lausanne Avenue de Forel 3 1015 Lausanne Switzerland., Botti S; Research Center Future Energy Materials and Systems of the University Alliance Ruhr and Interdisciplinary Centre for Advanced Materials Simulation, Ruhr University Bochum, Universitätsstraße 150 D-44801 Bochum Germany., Curtarolo S; Department of Mechanical Engineering and Materials Science, Duke University Durham NC 27708 USA.; Center for Extreme Materials, Duke University Durham NC 27708 USA., Draxl C; Humboldt-Universität zu Berlin, Institut für Physik and IRIS Adlershof 12489 Berlin Germany., Fuentes Cobas LE; Centro de Investigación en Materiales Avanzados, S.C. (CIMAV) Av. Miguel de Cervantes 120, Complejo Industrial Chihuahua 31136 Chihuahua Chih. Mexico., Hospital A; Institute for Research in Biomedicine (IRB Barcelona) Baldiri i Reixac 10-12 08028 Barcelona Spain., Liu ZK; Department of Materials Science and Engineering, The Pennsylvania State University, University Park PA 16802 USA., Marques MAL; Research Center Future Energy Materials and Systems of the University Alliance Ruhr and Interdisciplinary Centre for Advanced Materials Simulation, Ruhr University Bochum, Universitätsstraße 150 D-44801 Bochum Germany., Marzari N; Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne 1015 Lausanne Switzerland.; Laboratory for Materials Simulations (LMS), Paul Scherrer Institute (PSI) 5232 Villigen PSI Switzerland., Morris AJ; School of Metallurgy and Materials, University of Birmingham Edgbaston Birmingham B15 2TT UK., Ong SP; Department of NanoEngineering, University of California, San Diego 9500 Gilman Drive, La Jolla California 92093-0448 USA., Orozco M; Institute for Research in Biomedicine (IRB Barcelona) Baldiri i Reixac 10-12 08028 Barcelona Spain., Persson KA; Lawrence Berkeley National Lab Berkeley CA USA.; Department of Materials Science and Engineering, UC Berkeley Hearst Mining Memorial Building Berkeley 94720 CA USA., Thygesen KS; Computational Atomic-Scale Materials Design, Technical University of Denmark Kgs. Lyngby Denmark., Wolverton C; Department of Materials Science and Engineering, Northwestern University Evanston IL 60208 USA., Scheidgen M; Humboldt-Universität zu Berlin, Institut für Physik and IRIS Adlershof 12489 Berlin Germany., Toher C; Center for Extreme Materials, Duke University Durham NC 27708 USA.; Department of Materials Science and Engineering and Department of Chemistry and Biochemistry, The University of Texas at Dallas Richardson TX 75080 USA., Conduit GJ; Theory of Condensed Matter, Cavendish Laboratory Cambridge UK.; Intellegens Ltd French's Rd Cambridge CB4 3NP UK., Pizzi G; Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne 1015 Lausanne Switzerland.; Laboratory for Materials Simulations (LMS), Paul Scherrer Institute (PSI) 5232 Villigen PSI Switzerland., Gražulis S; Institute of Biotechnology, Life Sciences Center, Vilnius University Saulėtekio av. 7 LT-10257 Vilnius Lithuania.; Institute of Computer Science, Faculty of Mathematics and Informatics, Vilnius University Naugarduko g. 24 LT-03225 Vilnius Lithuania., Rignanese GM; UCLouvain, Institut de la Matière Condensée et des Nanosciences (IMCN) Chemin des Étoiles 8, Louvain-la-Neuve 1348 Belgium gian-marco.rignanese@uclouvain.be.; Matgenix SRL 185 Rue Armand Bury 6534 Gozée Belgium.; School of Materials Science and Engineering, Northwestern Polytechnical University Xi'an Shaanxi 710072 China., Armiento R; Materials Design and Informatics Unit, Department of Physics, Chemistry and Biology, Linköping University Sweden rickard.armiento@liu.se.
Publikováno v:
Digital discovery [Digit Discov] 2024 Apr 18; Vol. 3 (8), pp. 1509-1533. Date of Electronic Publication: 2024 Apr 18 (Print Publication: 2024).
Autor:
Krenn M; Max Planck Institute for the Science of Light (MPL), Erlangen, Germany., Ai Q; Department of Chemistry, Fordham University, The Bronx, NY, USA., Barthel S; Department of Mathematics, Vrije Universiteit Amsterdam, Amsterdam, the Netherlands., Carson N; Syngenta Jealott's Hill International Research Centre, Bracknell, Berkshire, UK., Frei A; Department of Chemistry, Imperial College London, Molecular Sciences Research Hub, White City Campus, Wood Lane, London, UK., Frey NC; Massachusetts Institute of Technology, Cambridge, MA, USA., Friederich P; Institute of Theoretical Informatics, Karlsruhe Institute of Technology, Karlsruhe, Germany.; Institute of Nanotechnology, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen, Germany., Gaudin T; Department of Computer Science, University of Toronto, Toronto, ON, Canada.; IBM Research Europe, Zürich, Switzerland., Gayle AA; Sapporo, Japan., Jablonka KM; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Sion, Valais, Switzerland., Lameiro RF; Medicinal and Biological Chemistry Group, São Carlos Institute of Chemistry, University of São Paulo, São Paulo, Brazil., Lemm D; Faculty of Physics, University of Vienna, Vienna, Austria., Lo A; Department of Computer Science, University of Toronto, Toronto, ON, Canada., Moosavi SM; Department of Mathematics and Computer Science, Freie Universität Berlin, Berlin, Germany., Nápoles-Duarte JM; Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Chihuahua, Mexico., Nigam A; Department of Computer Science, Stanford University, Stanford, CA, USA., Pollice R; Department of Computer Science, University of Toronto, Toronto, ON, Canada.; Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, ON, Canada., Rajan K; Institute for Inorganic and Analytical Chemistry, Friedrich-Schiller Universität Jena, Jena, Germany., Schatzschneider U; Institut für Anorganische Chemie, Julius-Maximilians-Universität Würzburg, Würzburg, Germany., Schwaller P; IBM Research Europe, Zürich, Switzerland.; Laboratory of Artificial Chemical Intelligence (LIAC), Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland.; National Centre of Competence in Research (NCCR) Catalysis, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland., Skreta M; Department of Computer Science, University of Toronto, Toronto, ON, Canada.; Vector Institute for Artificial Intelligence, Toronto, ON, Canada., Smit B; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Sion, Valais, Switzerland., Strieth-Kalthoff F; Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, ON, Canada., Sun C; Department of Computer Science, University of Toronto, Toronto, ON, Canada., Tom G; Department of Computer Science, University of Toronto, Toronto, ON, Canada.; Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, ON, Canada., Falk von Rudorff G; Faculty of Physics, University of Vienna, Vienna, Austria., Wang A; Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, ON, Canada.; Solar Fuels Group, Department of Chemistry, University of Toronto, Toronto, ON, Canada., White AD; Department of Chemical Engineering, University of Rochester, Rochester, NY, USA., Young A; Department of Computer Science, University of Toronto, Toronto, ON, Canada.; Vector Institute for Artificial Intelligence, Toronto, ON, Canada., Yu R; Department of Computer Science and Engineering, University of California, San Diego, La Jolla, CA, USA., Aspuru-Guzik A; Department of Computer Science, University of Toronto, Toronto, ON, Canada.; Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, ON, Canada.; Vector Institute for Artificial Intelligence, Toronto, ON, Canada.; Department of Chemical Engineering and Applied Chemistry, University of Toronto, Toronto, ON, Canada.; Department of Materials Science, University of Toronto, Toronto, ON, Canada.; Canadian Institute for Advanced Research (CIFAR) Lebovic Fellow, Toronto, ON, Canada.
Publikováno v:
Patterns (New York, N.Y.) [Patterns (N Y)] 2022 Oct 14; Vol. 3 (10), pp. 100588. Date of Electronic Publication: 2022 Oct 14 (Print Publication: 2022).
Autor:
Nápoles-Duarte JM; Laboratorio de Química Computacional, Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Nuevo Campus Universitario, Chihuahua, Mexico., Biswas A; Doctoral School of Biology, University of Szeged, Szeged, Hungary.; Biological Research Centre, Szeged, Hungary., Parker MI; Molecular and Cell Biology and Genetics (MCBG) Program, Drexel University College of Medicine, Philadelphia, PA, United States.; Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, PA, United States., Palomares-Baez JP; Laboratorio de Química Computacional, Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Nuevo Campus Universitario, Chihuahua, Mexico., Chávez-Rojo MA; Laboratorio de Química Computacional, Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Nuevo Campus Universitario, Chihuahua, Mexico., Rodríguez-Valdez LM; Laboratorio de Química Computacional, Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Nuevo Campus Universitario, Chihuahua, Mexico.
Publikováno v:
Frontiers in molecular biosciences [Front Mol Biosci] 2022 Sep 23; Vol. 9, pp. 990846. Date of Electronic Publication: 2022 Sep 23 (Print Publication: 2022).
Autor:
Espinoza-Hicks JC; Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Circuito Universitario, S/N, Chihuahua, Mexico., Nápoles-Duarte JM; Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Circuito Universitario, S/N, Chihuahua, Mexico., Nevárez-Moorillón GV; Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Circuito Universitario, S/N, Chihuahua, Mexico., Camacho-Dávila A; Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Circuito Universitario, S/N, Chihuahua, Mexico., Rodríguez-Valdez LM; Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Circuito Universitario, S/N, Chihuahua, Mexico. lmrodrig@uach.mx.
Publikováno v:
Journal of molecular modeling [J Mol Model] 2016 Oct; Vol. 22 (10), pp. 253. Date of Electronic Publication: 2016 Oct 03.