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Comment on "Accurate and Scalable O(N) Algorithm for First-Principles Molecular-Dynamics Computations on Large Parallel Computers"
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Chemical Physics · Physics
The Evolution of Machine Learning Potentials for Molecules, Reactions and Materials
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Chemical Physics · Physics
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
Matthias Rupp, Alexandre Tkatchenko, Klaus-Robert Müller, O. Anatole von Lilienfeld
2015-05-30
Computational Physics · Physics
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2022-02-15
Chemical Physics · Physics
Reply to "Comment on 'Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction' [J. Chem. Phys. 137, 22A530 (2012) ]''
Ali Abedi, Neepa T. Maitra, E. K. U. Gross
2015-06-16
Chemical Physics · Physics
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Biological Physics · Physics
Comment on "Can one predict DNA Transcription Start Sites by Studying Bubbles?"
C. H. Choi, A. Usheva, G. Kalosakas, K. O. Rasmussen +1
2007-05-23
High Energy Physics - Phenomenology · Physics
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2023-03-14
Materials Science · Physics
Strategies for the Construction of Machine-Learning Potentials for Accurate and Efficient Atomic-Scale Simulations
April M. Miksch, Tobias Morawietz, Johannes Kästner, Alexander Urban +1
2021-05-06