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Tensor Train Optimization for Conformational Sampling of Organic Molecules2025 Journal of Chemical Theory and Computation article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics
Christopher Zurek, Ruslan A. Mallaev, Alexander C. Paul, Nils van Staalduinen, Philipp Pracht, Roman Ellerbrock, +1 more
7citations -
SALTED: a symmetry-adapted machine-learning program for predicting electron-densities in molecules and materials2026 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access
Zekun Lou, Alan M. Lewis, T. Bernhard, Lukas Seifert, Agustin Salcedo, Florian Kleemiss, +2 more
0citations -
Harnessing Manycore Processors with Distributed Memory for Accelerated Training of Sparse and Recurrent Models2024 Proceedings of the AAAI Conference on Artificial Intelligence conference-paper Materials Science Machine Learning in Materials Science Open access
Jan Finkbeiner, Thomas Gmeinder, Mark Pupilli, Alexander Titterton, Emre Neftci
4citations -
Harnessing Manycore Processors with Distributed Memory for Accelerated Training of Sparse and Recurrent Models2023 arXiv (Cornell University) preprint Engineering Advanced Memory and Neural Computing Open access
Jan Finkbeiner, Thomas Gmeinder, Mark Pupilli, Alexander Titterton, Emre Neftci
0citations
21 results