Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Sebastian Bichelmaier"'
Publikováno v:
Physical Review B. 107
Publikováno v:
International Journal of Quantum Chemistry. 123
Autor:
Ralf Wanzenböck, Marco Arrigoni, Sebastian Bichelmaier, Florian Buchner, Jesús Carrete, Georg K. H. Madsen
Publikováno v:
Digital Discovery. 1:703-710
The covariance matrix adaptation evolution strategy (CMA-ES) and a fully automatically differentiable, transferable neural-network force field are combined to explore TiOx overlayer structures on SrTiO3(110) 3×1, 4×1 and 5×1 surfaces.
Autor:
Ralf, Wanzenböck, Marco, Arrigoni, Sebastian, Bichelmaier, Florian, Buchner, Jesús, Carrete, Georg K H, Madsen
Publikováno v:
Digital discovery. 1(5)
The determination of atomic structures in surface reconstructions has typically relied on structural models derived from intuition and domain knowledge. Evolutionary algorithms have emerged as powerful tools for such structure searches. However, when
Autor:
Hadrián Montes-Campos, Jesús Carrete, Sebastian Bichelmaier, Luis M. Varela, Georg K. H. Madsen
Publikováno v:
Journal of Chemical Information and Modeling
We present NeuralIL, a model for the potential energy of an ionic liquid that accurately reproduces first-principles results with orders-of-magnitude savings in computational cost. Built on the basis of a multilayer perceptron and spherical Bessel de
Autor:
Anna Regoutz, Curran Kalha, J. Zechner, Pardeep K. Thakur, J. J. Gutiérrez Moreno, Judith Berens, M. Reisinger, Laura E. Ratcliff, Sebastian Bichelmaier, Stephan Mohr, Nathalie K. Fernando, Michael Nelhiebel, Ty Lee
Publikováno v:
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
Universitat Politècnica de Catalunya (UPC)
The binary alloy of titanium-tungsten (TiW) is an established diffusion barrier in high-power semiconductor devices, owing to its ability to suppress the diffusion of copper from the metallization scheme into the surrounding silicon substructure. How
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0b3762ba8c2b2d9f2b30ade3f2aaf698
http://arxiv.org/abs/2102.09845
http://arxiv.org/abs/2102.09845
Autor:
Tomas Wiell, Manesh V. Mistry, Anna Regoutz, J. Matthias Kahk, Thomas Aichinger, Judith Berens, Sebastian Bichelmaier, Nathalie K. Fernando, Pardeep K. Thakur, Susanna K. Eriksson, Gregor Pobegen, Manfred Mascheck, Tien-Lin Lee, Johannes Lischner
SiC is set to enable a new era in power electronics impacting a wide range of energy technologies, from electric vehicles to renewable energy. Its physical characteristics outperform silicon in many aspects, including band gap, breakdown field, and t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc1be92a8fc9d7f7316f610cccf415c5
Publikováno v:
Wiley Online Library