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Tue, 14:30 |
O 32.2 |
High-throughput simulations of complex band structure — •Emanuele Bosoni and Stefano Sanvito
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Tue, 15:00 |
O 32.4 |
First-principles Modelling of Solid-Solid Interfaces in all Solid-State Batteries — •Bora Karasulu, James P. Darby, Clare P. Grey, and Andrew J. Morris
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Tue, 15:15 |
O 32.5 |
New Insights into Amorphous Materials and their Surfaces by Combining Machine Learning and DFT — •Volker Deringer
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Tue, 15:30 |
O 32.6 |
Harvesting from unbiased sampling of open systems: phase diagrams and property maps of surfaces and clusters in reactive atmosphere — •Yuanyuan Zhou, Matthias Scheffler, and Luca M. Ghiringhelli
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Tue, 15:45 |
O 32.7 |
DFT Predicted XAS Spectra for the Solid Electrolyte Interphase — •Angela F. Harper and Andrew J. Morris
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Tue, 16:00 |
O 32.8 |
Constructing Accurate Machine Learning Force Fields for Flexible Molecules — •Valentin Vassilev-Galindo, Igor Poltavsky, and Alexandre Tkatchenko
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Tue, 16:15 |
O 32.9 |
Calculating critical temperatures for magnetic order in two-dimensional materials — •Daniele Torelli
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Tue, 16:30 |
O 32.10 |
Amino-acids on metallic surfaces: searching conformational space — •Dmitrii Maksimov, Carsten Baldauf, and Mariana Rossi
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Tue, 14:00 |
O 33.1 |
Interaction of ethylene carbonate and lithium on thin cobalt oxide films - A model of the electrode|electrolyte interphase in Li-ion batteries — •Jihyun Kim, Florian Buchner, and R. Jürgen Behm
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Tue, 14:15 |
O 33.2 |
The ionic liquid|cobalt oxide interface and interaction with lithium - A model study for the solid|electrolyte interphase in Li-ion batteries — •Florian Buchner, Jihyun Kim, and R. Jürgen Behm
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