RESEARCH PAPER · Journal of Chemical Theory and Computation · 2026
ALF: Open-Source Active Learning Framework for Atomistic Modeling
Vitor Ferreira Grizzi, Patrick J. Lohr, Nikita S. Fedik, Steven Anaya, Jared Averitt, Joseph S. Gomes, Ying Wai Li, Kipton M. Barros, Nicholas Lubbers, Richard A. Messerly, Jan Janßen, Maksim Kulichenko, Justin Smith, Sergei Tretiak, Benjamin T. Nebgen
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