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14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon.
Jablonka, Kevin Maik; Ai, Qianxiang; Al-Feghali, Alexander; Badhwar, Shruti; Bocarsly, Joshua D; Bran, Andres M; Bringuier, Stefan; Brinson, L Catherine; Choudhary, Kamal; Circi, Defne; Cox, Sam; de Jong, Wibe A; Evans, Matthew L; Gastellu, Nicolas; Genzling, Jerome; Gil, María Victoria; Gupta, Ankur K; Hong, Zhi; Imran, Alishba; Kruschwitz, Sabine; Labarre, Anne; Lála, Jakub; Liu, Tao; Ma, Steven; Majumdar, Sauradeep; Merz, Garrett W; Moitessier, Nicolas; Moubarak, Elias; Mouriño, Beatriz; Pelkie, Brenden; Pieler, Michael; Ramos, Mayk Caldas; Rankovic, Bojana; Rodriques, Samuel G; Sanders, Jacob N; Schwaller, Philippe; Schwarting, Marcus; Shi, Jiale; Smit, Berend; Smith, Ben E; Van Herck, Joren; Völker, Christoph; Ward, Logan; Warren, Sean; Weiser, Benjamin; Zhang, Sylvester; Zhang, Xiaoqi; Zia, Ghezal Ahmad; Scourtas, Aristana; Schmidt, K J.
Affiliation
  • Jablonka KM; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL) Sion Valais Switzerland mail@kjablonka.com.
  • Ai Q; Department of Chemical Engineering, Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA.
  • Al-Feghali A; Department of Chemistry, McGill University Montreal Quebec Canada.
  • Badhwar S; Reincarnate Inc. USA.
  • Bocarsly JD; Yusuf Hamied Department of Chemistry, University of Cambridge Lensfield Road Cambridge CB2 1EW UK.
  • Bran AM; Laboratory of Artificial Chemical Intelligence (LIAC), Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL) Lausanne Switzerland.
  • Bringuier S; National Centre of Competence in Research (NCCR) Catalysis, Ecole Polytechnique Fédérale de Lausanne (EPFL) Lausanne Switzerland.
  • Brinson LC; Independent Researcher San Diego CA USA.
  • Choudhary K; Mechanical Engineering and Materials Science, Duke University USA.
  • Circi D; Material Measurement Laboratory, National Institute of Standards and Technology Maryland 20899 USA.
  • Cox S; Mechanical Engineering and Materials Science, Duke University USA.
  • de Jong WA; Department of Chemical Engineering, University of Rochester USA.
  • Evans ML; Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory Berkeley CA 94720 USA.
  • Gastellu N; Institut de la Matière Condensée et des Nanosciences (IMCN), UCLouvain Chemin des Étoiles 8 Louvain-la-Neuve 1348 Belgium.
  • Genzling J; Matgenix SRL 185 Rue Armand Bury 6534 Gozée Belgium.
  • Gil MV; Department of Chemistry, McGill University Montreal Quebec Canada.
  • Gupta AK; Department of Chemistry, McGill University Montreal Quebec Canada.
  • Hong Z; Instituto de Ciencia y Tecnología del Carbono (INCAR), CSIC Francisco Pintado Fe 26 33011 Oviedo Spain.
  • Imran A; Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory Berkeley CA 94720 USA.
  • Kruschwitz S; Department of Computer Science, University of Chicago Chicago Illinois 60637 USA.
  • Labarre A; Computer Science, University of California Berkeley CA 94704 USA.
  • Lála J; Bundesanstalt für Materialforschung und -prüfung Unter den Eichen 87 12205 Berlin Germany.
  • Liu T; Department of Chemistry, McGill University Montreal Quebec Canada.
  • Ma S; Francis Crick Institute 1 Midland Rd London NW1 1AT UK.
  • Majumdar S; Department of Chemistry, McGill University Montreal Quebec Canada.
  • Merz GW; Department of Chemistry, McGill University Montreal Quebec Canada.
  • Moitessier N; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL) Sion Valais Switzerland mail@kjablonka.com.
  • Moubarak E; American Family Insurance Data Science Institute, University of Wisconsin-Madison Madison WI 53706 USA.
  • Mouriño B; Department of Chemistry, McGill University Montreal Quebec Canada.
  • Pelkie B; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL) Sion Valais Switzerland mail@kjablonka.com.
  • Pieler M; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL) Sion Valais Switzerland mail@kjablonka.com.
  • Ramos MC; Department of Chemical Engineering, University of Washington Seattle WA 98105 USA.
  • Rankovic B; OpenBioML.org UK.
  • Rodriques SG; Stability.AI UK.
  • Sanders JN; Department of Chemical Engineering, University of Rochester USA.
  • Schwaller P; Laboratory of Artificial Chemical Intelligence (LIAC), Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL) Lausanne Switzerland.
  • Schwarting M; National Centre of Competence in Research (NCCR) Catalysis, Ecole Polytechnique Fédérale de Lausanne (EPFL) Lausanne Switzerland.
  • Shi J; Francis Crick Institute 1 Midland Rd London NW1 1AT UK.
  • Smit B; Department of Chemistry and Biochemistry, University of California Los Angeles CA 90095 USA.
  • Smith BE; Laboratory of Artificial Chemical Intelligence (LIAC), Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL) Lausanne Switzerland.
  • Van Herck J; National Centre of Competence in Research (NCCR) Catalysis, Ecole Polytechnique Fédérale de Lausanne (EPFL) Lausanne Switzerland.
  • Völker C; Department of Computer Science, University of Chicago Chicago IL 60490 USA.
  • Ward L; Department of Chemical Engineering, Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA.
  • Warren S; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL) Sion Valais Switzerland mail@kjablonka.com.
  • Weiser B; Yusuf Hamied Department of Chemistry, University of Cambridge Lensfield Road Cambridge CB2 1EW UK.
  • Zhang S; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL) Sion Valais Switzerland mail@kjablonka.com.
  • Zhang X; Bundesanstalt für Materialforschung und -prüfung Unter den Eichen 87 12205 Berlin Germany.
  • Zia GA; Data Science and Learning Division, Argonne National Lab USA.
  • Scourtas A; Department of Chemistry, McGill University Montreal Quebec Canada.
  • Schmidt KJ; Department of Chemistry, McGill University Montreal Quebec Canada.
Digit Discov ; 2(5): 1233-1250, 2023 Oct 09.
Article in En | MEDLINE | ID: mdl-38013906
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Digit Discov Year: 2023 Document type: Article Country of publication: Reino Unido
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Digit Discov Year: 2023 Document type: Article Country of publication: Reino Unido