Esben L. Kolsbjerg

Aarhus University — Denmark

Materials Science · Physical Sciences

8h-index4.7kcitations14works0.02yr avg
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Research Topics

Machine Learning in Materials Science(6), Catalytic Processes in Materials Science(3), Computational Drug Discovery Methods(3), Molecular Junctions and Nanostructures(3), Surface Chemistry and Catalysis(3)

Publications14 total

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Physical Review Materials·2020· 7 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
Improving computational methods for modeling reactivity
2018
An introductory example of machine learning enhanced global optimization
arXiv (Cornell University)·2018Open Access
Neural-network-enhanced evolutionary algorithm applied to supported metal nanoparticles
Physical review. B./Physical review. B·2018· 109 cited
Rotation and diffusion of naphthalene on Pt(111)
The Journal of Chemical Physics·2018· 5 cited
NH3 adsorption on anatase-TiO2(101)
The Journal of Chemical Physics·2018· 16 cited
Erratum: “An automated nudged elastic band method” [J. Chem. Phys. 145, 094107 (2016)]
The Journal of Chemical Physics·2018· 2 citedOpen Access
Exciting H<sub>2</sub> Molecules for Graphene Functionalization
ACS Nano·2017· 28 citedOpen Access
Supramolecular Corrals on Surfaces Resulting from Aromatic Interactions of Nonplanar Triazoles
ACS Nano·2017· 8 cited
The atomic simulation environment—a Python library for working with atoms
Journal of Physics Condensed Matter·2017· 4.3k citedOpen Access
An automated nudged elastic band method
The Journal of Chemical Physics·2016· 116 cited
Pyridine adsorption and diffusion on Pt(111) investigated with density functional theory
The Journal of Chemical Physics·2016· 23 cited

Frequent Co-authors

Bjørk Hammer(13), Michael N. Groves(5), Søren Ager Meldgaard(3), Andrew A. Peterson(2), Stig Koust(2), Kræn C. Adamsen(2), Stefan Wendt(2), Jeppe V. Lauritsen(2), L. Lammich(2), Ask Hjorth Larsen(1), Jens Jørgen Mortensen(1), Jakob Blomqvist(1), Ivano E. Castelli(1), Rune Christensen(1), Marcin Dułak(1), Jesper Friis(1), Cory Hargus(1), Eric Hermes(1), Paul C. Jennings(1), P. Jensen(1)