The Open Knowledgebase of Interatomic Models is a curated repository of open-source interatomic potentials and analytics for making classical molecular simulations of materials reliable, reproducible, and accessible.
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A curated repository of first principles datasets for training data-driven interatomic potentials based on machine learning.
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Machine Learning foundation model for materials and chemistry discovery based on the technology underlying ChatGPT.
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Framework for training physics-based and ML-based interatomic potentials and the associated libdescriptor high performance library for representations of atomic environments.
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Integrated cyberinfrastructure for molecular dynamics simulations of nanomaterials and biomaterials integrating OpenKIM, IFF, and CHARMM-GUI.
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Materials Science Community Discourse, a discussion forum for computational materials science hosting multiple projects related to molecular simulation.
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An online commentary journal for the CMS community to explore key publications in molecular simulation with a distinguished and diverse editorial board of leading researchers.
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Russell J. Penrose Professor, Department of Aerospace Engineering and Mechanics, University of Minnesota
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Assistant Professor of Physics, Chemistry and Mathematics, New York University; Simons Foundation Faculty Fellow
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Associate Professor, Department of Physics and Astronomy, Brigham Young University
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Distinguished McKnight University Professor, Department of Computer Science & Engineering, University of Minnesota
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Professor of Aerospace Engineering and Mechanics, University of Minnesota
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