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; Ranković, 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, KJ; Foster, Ian; White, Andrew D; Blaiszik, Ben

doi:10.25418/crick.24297949.v1

d3dd00113j (1).pdf (4.08 MB)

14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon

journal contribution

posted on 2023-10-12, 10:01 authored by Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali, Shruti Badhwar, Joshua D Bocarsly, Andres M Bran, Stefan Bringuier, L Catherine Brinson, Kamal Choudhary, Defne Circi, Sam Cox, Wibe A de Jong, Matthew L Evans, Nicolas Gastellu, Jerome Genzling, María Victoria Gil, Ankur K Gupta, Zhi Hong, Alishba Imran, Sabine Kruschwitz, Anne Labarre, Jakub Lála, Tao Liu, Steven Ma, Sauradeep Majumdar, Garrett W Merz, Nicolas Moitessier, Elias Moubarak, Beatriz Mouriño, Brenden Pelkie, Michael Pieler, Mayk Caldas Ramos, Bojana Ranković, Samuel G Rodriques, Jacob N Sanders, Philippe Schwaller, Marcus Schwarting, Jiale Shi, Berend Smit, Ben E Smith, Joren Van Herck, Christoph Völker, Logan Ward, Sean Warren, Benjamin Weiser, Sylvester Zhang, Xiaoqi Zhang, Ghezal Ahmad Zia, Aristana Scourtas, KJ Schmidt, Ian Foster, Andrew D White, Ben Blaiszik

We report the findings of a hackathon focused on exploring the diverse applications of large language models in molecular and materials science.