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Verhandlungen
DPG

Regensburg 2019 – wissenschaftliches Programm

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4364 Ergebnisse auf 437 Seiten: 1249 250 251 252 253437

Mo, 16:15 MM 10.3 Parametrization of classical force fields for single molecule junctions — •Narendra P. Arasu and Hector Vazquez
Mo, 16:30 MM 10.4 Parametrization of a bond-order potential for Ti — •Alberto Ferrari, Malte Schröder, Yury Lysogorskiy, Jutta Rogal, Matous Mrovec, and Ralf Drautz
Mo, 16:45 MM 10.5 Learning to use the force: DFTB repulsion with Gaussian Process RegressionArtur Engelmann, •Chiara Panosetti, Johannes T. Margraf, and Karsten Reuter
Mo, 17:00 MM 10.6 A Neural Network Potential for Lithium Manganese Oxides — •Marco Eckhoff, Peter Blöchl, and Jörg Behler
Mo, 17:30 MM 10.7 Machine learning for training lattice based modelsMattias Ångqvist, Erik Fransson, J. Magnus Rahm, and •Paul Erhart
Mo, 17:45 MM 10.8 Reliable methods for combining tight binding models based on maximally localized Wannier functions — •Jae-Mo Lihm and Cheol-Hwan Park
Mo, 18:00 MM 10.9 Phonon-Related Properties in Metal-Organic Frameworks from First Principles — •Tomas Kamencek, Sandro Wieser, Egbert Zojer, and Natalia Bedoya-Martínez
Mo, 18:15 MM 10.10 Phonon filters in molecular junctions — •Alvaro Rodriguez Mendez, Leonardo Medrano Sandonas, Rafael Gutierrez, Jesus Ugalde, Vladimiro Mujica, and Gianaurelio Cuniberti
Mo, 18:30 MM 10.11 Phonon spectrum, phase stability and thermodynamic properties of the cubic pi-phase in the IV-VI monochalcogenides - formation and effect of a phonon band gap — •Uri Argaman, Ran Abutbul, and Guy Makov
Mo, 15:45 MM 11.1 Topical Talk: Probing the properties of dislocations in SrTiO3 through transient transport measurements — •Roger De Souza

4364 Ergebnisse auf 437 Seiten: 1249 250 251 252 253437

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