MRM2023/IUMRS-ICA2023

Presentation information

Poster Session

A. Fundamentals » [A-5] Advanced Algorithms and Tools for Materials Informatics

[A5-P501] Poster 501

Fri. Dec 15, 2023 10:00 AM - 12:00 PM Poster (Annex)

[A5-P501-09] New Paradigms in Machine Learning for Materials Design: ML Forcefields, De Novo Design, and LLMs

*Anand Chandrasekaran1, Garvit Agarwal1, H. Shaun Kwak2, Tsuguo Morisato3, Mathew D. Halls4, Karl Leswing1 (1. Schrödinger Inc., New York, New York, 10036 (United States of America), 2. Schrödinger Inc., Portland, Oregon, 97204 (United States of America), 3. Schrödinger K.K., Chiyoda-ku, Tokyo 100-0005 (Japan), 4. Schrödinger Inc., San Diego, California, 92121 (United States of America))

Keywords:Machine Learning, DFT, Informatics, LLM, force fields, de novo design

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