Mathias Siggaard Jørgensen
Mathias Siggaard Jørgensen
Ph.D. student, iNANO, Aarhus University
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On-the-fly machine learning of atomic potential in density functional theory structure optimization
TL Jacobsen, MS Jørgensen, B Hammer
Physical review letters 120 (2), 026102, 2018
Atomic energies from a convolutional neural network
X Chen, MS Jørgensen, J Li, B Hammer
Journal of chemical theory and computation 14 (7), 3933-3942, 2018
Exploration versus exploitation in global atomistic structure optimization
MS Jørgensen, UF Larsen, KW Jacobsen, B Hammer
The Journal of Physical Chemistry A 122 (5), 1504-1509, 2018
Combining evolutionary algorithms with clustering toward rational global structure optimization at the atomic scale
MS Jørgensen, MN Groves, B Hammer
Journal of Chemical Theory and Computation 13 (3), 1486-1493, 2017
Atomistic structure learning
MS Jørgensen, HL Mortensen, SA Meldgaard, EL Kolsbjerg, TL Jacobsen, ...
The Journal of Chemical Physics 151 (5), 054111, 2019
Structure of the Surface
LR Merte, MS Jørgensen, K Pussi, J Gustafson, M Shipilin, A Schaefer, ...
Physical review letters 119 (9), 096102, 2017
Accelerating atomic structure search with cluster regularization
KH Sørensen, MS Jørgensen, A Bruix, B Hammer
The Journal of chemical physics 148 (24), 241734, 2018
Structure prediction of surface reconstructions by deep reinforcement learning
SA Meldgaard, HL Mortensen, MS Jørgensen, B Hammer
Journal of Physics: Condensed Matter 32 (40), 404005, 2020
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