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The last 5 uploaded publications
A framework to evaluate machine learning crystal stability predictions
Janosh Riebesell, Rhys E. A. Goodall, Philipp Benner, Yuan Chiang, Bowen Deng, Gerbrand Ceder, Mark Asta, Alpha A. Lee, Anubhav Jain, Kristin A. Persson (2025). A framework to evaluate machine learning crystal stability predictions. , 7(6), DOI: https://doi.org/10.1038/s42256-025-01055-1.
Article16 days agoAuthor Correction: A framework to evaluate machine learning crystal stability predictions
Janosh Riebesell, Rhys E. A. Goodall, Philipp Benner, Yuan Chiang, Bowen Deng, Gerbrand Ceder, Mark Asta, Alpha A. Lee, Anubhav Jain, Kristin A. Persson (2025). Author Correction: A framework to evaluate machine learning crystal stability predictions. , 7(9), DOI: https://doi.org/10.1038/s42256-025-01117-4.
Article16 days agoTorchSim: an efficient atomistic simulation engine in PyTorch
Orion Cohen, Janosh Riebesell, Rhys E. A. Goodall, Adeesh Kolluru, Stefano Falletta, Jens Krause, Jorge Colindres, Gerbrand Ceder, Abhijeet S. Gangan (2025). TorchSim: an efficient atomistic simulation engine in PyTorch. , 1(2), DOI: https://doi.org/10.1088/3050-287x/ae1799.
Article16 days agoTorchSim: An efficient atomistic simulation engine in PyTorch
Orion Cohen, Janosh Riebesell, Rhys E. A. Goodall, Adeesh Kolluru, Stefano Falletta, Jens Krause, Jorge Colindres, Gerbrand Ceder, Abhijeet S. Gangan (2025). TorchSim: An efficient atomistic simulation engine in PyTorch. , DOI: https://doi.org/10.48550/arxiv.2508.06628.
Preprint16 days ago