Søren Ager Meldgaard

Aarhus University — Denmark

Materials Science · Physical Sciences

5h-index173citations8works0.02yr avg
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Research Topics

Machine Learning in Materials Science(8), Computational Drug Discovery Methods(4), X-ray Diffraction in Crystallography(2), Protein Structure and Dynamics(1), Fuel Cells and Related Materials(1)

Publications8 total

Generating stable molecules using imitation and reinforcement learning
Machine Learning Science and Technology·2021· 3 citedOpen Access
Machine learning guided atomistic structure optimization
2021
Atomistic structure learning algorithm with surrogate energy model relaxation
Physical review. B./Physical review. B·2020· 35 citedOpen Access
Gaussian representation for image recognition and reinforcement learning of atomistic structure
The Journal of Chemical Physics·2020· 19 citedOpen Access
Structure prediction of surface reconstructions by deep reinforcement learning
Journal of Physics Condensed Matter·2020· 32 cited
Atomistic structure learning
The Journal of Chemical Physics·2019· 40 citedOpen Access
Machine learning enhanced global optimization by clustering local environments to enable bundled atomic energies
The Journal of Chemical Physics·2018· 44 citedOpen Access
An introductory example of machine learning enhanced global optimization
arXiv (Cornell University)·2018Open Access

Frequent Co-authors

Bjørk Hammer(7), Henrik Lund Mortensen(5), Esben L. Kolsbjerg(3), Mads-Peter Verner Christiansen(3), Mathias Jørgensen(2), T.L. Jacobsen(1), Knud H. Sørensen(1), Malthe Kjær Bisbo(1), Jonas Köhler(1), Frank Noé(1)