Search Results - "Lála, Jakub"

14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon by 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, Rankovi, 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, Foster, Ian, White, Andrew D, Blaiszik, Ben

“…Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and…”
Get full text

PaperQA: Retrieval-Augmented Generative Agent for Scientific Research by Lála, Jakub, O'Donoghue, Odhran, Shtedritski, Aleksandar, Cox, Sam, Rodriques, Samuel G, White, Andrew D

“…Large Language Models (LLMs) generalize well across language tasks, but suffer from hallucinations and uninterpretability, making it difficult to assess their…”
Get full text

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon by 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

“…Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and…”
Get full text

Coarse-Graining of Molecular Dynamics Using Neural Ordinary Differential Equations by Lala, Jakub, Angiolleti-Uberti, Stefano

“…Coarse-graining (CG) improves computational feasibility of simulating complex molecular systems (e.g. proteins, or polymer chains) by reducing the number of…”
Get full text