General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer
Ko, Tsz Wai, Finkler, Jonas A, Goedecker, Stefan, Behler, Jörg
Published in Accounts of chemical research (16.02.2021)
Published in Accounts of chemical research (16.02.2021)
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Principles of isomer stability in small clusters
Fisicaro, Giuseppe, Schaefer, Bastian, Finkler, Jonas A, Goedecker, Stefan
Published in Materials advances (03.04.2023)
Published in Materials advances (03.04.2023)
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Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding
Ko, Tsz Wai, Finkler, Jonas A., Goedecker, Stefan, Behler, Jörg
Published in Journal of chemical theory and computation (27.06.2023)
Published in Journal of chemical theory and computation (27.06.2023)
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Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge Equilibration
Gubler, Moritz, Finkler, Jonas A, Schäfer, Moritz R, Behler, Jörg, Goedecker, Stefan
Published in Journal of chemical theory and computation (16.08.2024)
Published in Journal of chemical theory and computation (16.08.2024)
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Corrigendum to performing highly efficient minima hopping structure predictions using the Atomic Simulation Environment (ASE) [SoftwareX 25 (2024) 101632]
Krummenacher, Marco, Gubler, Moritz, Finkler, Jonas A., Huber, Hannes, Sommer-Jörgensen, Martin, Goedecker, Stefan
Published in SoftwareX (01.05.2024)
Published in SoftwareX (01.05.2024)
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Funnel Hopping Monte Carlo: An efficient method to overcome broken ergodicity
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Ternary Phase Diagram of Nitrogen Doped Lutetium Hydrides
Gubler, Moritz, Krummenacher, Marco, Finkler, Jonas A, Goedecker, Stefan
Year of Publication 13.06.2023
Year of Publication 13.06.2023
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Accelerating fourth-generation machine learning potentials by quasi-linear scaling particle mesh charge equilibration
Gubler, Moritz, Finkler, Jonas A, Schäfer, Moritz R, Behler, Jörg, Goedecker, Stefan
Year of Publication 04.03.2024
Year of Publication 04.03.2024
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Journal Article
Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE)
Krummenacher, Marco, Gubler, Moritz, Finkler, Jonas A, Huber, Hannes, Sommer-Jörgensen, Martin, Goedecker, Stefan
Year of Publication 15.09.2023
Year of Publication 15.09.2023
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