Work

ALF: Open-Source Active Learning Framework for Atomistic Modeling

Year: 2026

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.6c01122

Authors: Vitor F. Grizzi, Patrick J. Lohr, Nikita Fedik, Steven Anaya, Jared Averitt, Joseph Gomes, Ying Wai Li, Kipton Barros, Nicholas Lubbers, Richard A. Messerly, Jan Janssen, Maksim Kulichenko, Justin Smith, Sergei Tretiak, Benjamin T. Nebgen

Institutions: University of Illinois Urbana-Champaign, Los Alamos National Laboratory, University of Iowa, Max-Planck-Institut für Nachhaltige Materialien, Nvidia (United States)

Language: English

Topic: Machine Learning in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: closed

Funders: Laboratory Directed Research and Development, Los Alamos National Laboratory

Awards: G2379609, G301456839

OpenAlex ID: W7202186124

FWCI:

Cites: 75

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