TY - RPRT TI - Foundation models for atomistic simulation of chemistry and materials AU - Yuan, Eric C.-Y. [University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] AU - Liu, Yunsheng [University of California, Berkeley, CA (United States)] AU - Chen, Junmin [University of California, Berkeley, CA (United States)] AU - Zhong, Peichen [University of California, Berkeley, CA (United States)] (ORCID:0000000319211628) AU - Raja, Sanjeev [University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] AU - Kreiman, Tobias [University of California, Berkeley, CA (United States)] (ORCID:0009000211425744) AU - Vargas, Santiago [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] AU - Xu, Wenbin [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0009000257090142) AU - Head-Gordon, Martin [University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000243096669) AU - Yang, Chao [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] AU - Blau, Samuel M. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000331323032) AU - Cheng, Bingqing [University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] AU - Krishnapriyan, Aditi [University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] AU - Head-Gordon, Teresa [University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000300258987) PY - 2026 DO - 10.1038/s41570-025-00793-5 UR - https://www.osti.gov/biblio/3030155 ID - 3030155 ER -