Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Bisbo, Malthe Kjær"'
Autor:
Rønne, Nikolaj, Christiansen, Mads-Peter V., Slavensky, Andreas Møller, Tang, Zeyuan, Brix, Florian, Pedersen, Mikkel Elkjær, Bisbo, Malthe Kjær, Hammer, Bjørk
Publikováno v:
J. Chem. Phys. 157, 174115 (2022)
We describe a local surrogate model for use in conjunction with global structure search methods. The model follows the Gaussian approximation potential (GAP) formalism and is based on a the smooth overlap of atomic positions descriptor with sparsific
Externí odkaz:
http://arxiv.org/abs/2208.09273
Autor:
Mortensen, Henrik Lund, Meldgaard, Søren Ager, Bisbo, Malthe Kjær, Christiansen, Mads-Peter V., Hammer, Bjørk
Publikováno v:
Phys. Rev. B 102, 075427 (2020)
The recently proposed Atomistic Structure Learning Algorithm (ASLA) builds on neural network enabled image recognition and reinforcement learning. It enables fully autonomous structure determination when used in combination with a first-principles to
Externí odkaz:
http://arxiv.org/abs/2007.07523
Autor:
Merte, Lindsay R.1 (AUTHOR) lindsay.merte@mau.se, Bisbo, Malthe Kjær2 (AUTHOR), Sokolović, Igor3 (AUTHOR), Setvín, Martin3,4 (AUTHOR), Hagman, Benjamin5 (AUTHOR), Shipilin, Mikhail5 (AUTHOR), Schmid, Michael3 (AUTHOR), Diebold, Ulrike3 (AUTHOR), Lundgren, Edvin5 (AUTHOR), Hammer, Bjørk2 (AUTHOR) hammer@phys.au.dk
Publikováno v:
Angewandte Chemie. 6/20/2022, Vol. 134 Issue 25, p1-7. 7p.
Akademický článek
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Autor:
Merte, Lindsay R., Braud, Nicolas, Buß, Lars, Bisbo, Malthe Kjær, Wallander, Harald J., Krisponeit, Jon-Olaf, Flege, Jan Ingo, Hammer, Bjørk, Falta, Jens, Lundgren, Edvin
Publikováno v:
Journal of Physical Chemistry C; 2/16/2023, Vol. 127 Issue 6, p2988-2994, 7p
Autor:
Merte LR; Materials Science and Applied Mathematics, Malmö University, 20506, Malmö, Sweden., Bisbo MK; Center for Interstellar Catalysis, Department of Physics and Astronomy, Aarhus University, 8000, Aarhus, Denmark., Sokolović I; Institute of Applied Physics, TU Wien, 1040, Vienna, Austria., Setvín M; Institute of Applied Physics, TU Wien, 1040, Vienna, Austria.; Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University, 180 00, Prague 8, Czech Republic., Hagman B; Div. of Synchrotron Radiation Research, Lund University, 22100, Lund, Sweden., Shipilin M; Div. of Synchrotron Radiation Research, Lund University, 22100, Lund, Sweden., Schmid M; Institute of Applied Physics, TU Wien, 1040, Vienna, Austria., Diebold U; Institute of Applied Physics, TU Wien, 1040, Vienna, Austria., Lundgren E; Div. of Synchrotron Radiation Research, Lund University, 22100, Lund, Sweden., Hammer B; Center for Interstellar Catalysis, Department of Physics and Astronomy, Aarhus University, 8000, Aarhus, Denmark.
Publikováno v:
Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2022 Jun 20; Vol. 61 (25), pp. e202204244. Date of Electronic Publication: 2022 Apr 29.