MM 2: Computational Materials Modelling: Energy Materials
Monday, September 5, 2022, 10:15–13:00, H44
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10:15 |
MM 2.1 |
Importance of electronic correlations in exploring the exotic phase diagram of Li ion battery cathodes — •Hrishit Banerjee, Clare P. Grey, and Andrew J. Morris
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10:30 |
MM 2.2 |
The contribution has been withdrawn.
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10:45 |
MM 2.3 |
Si nanostructure formation in quenched AlSi µ-droplets for application as anode material in lithium-ion-batteries — •David Tucholski and Karl-Heinz Heinig
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11:00 |
MM 2.4 |
Tackling structural complexity in Li2S-P2S5 solid-state electrolytes using Machine Learning — •Tabea Huss, Carsten Staacke, Johannes Margraf, Karsten Reuter, and Christoph Scheurer
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11:15 |
MM 2.5 |
Exploration of cathode-stable layered solid-state electrolytes — •Sina Ziegler, Christoph Scheurer, and Karsten Reuter
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11:30 |
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15 min. break
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11:45 |
MM 2.6 |
Ab-initio core spectroscopy of LiCoO2 and CoO2 — Daniel Duarte Ruiz and •Caterina Cocchi
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12:00 |
MM 2.7 |
High-throughput computational screening of fast Li-ion conductors — •Tushar Thakur, Loris Ercole, and Nicola Marzari
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12:15 |
MM 2.8 |
Adaptive kinetic Monte Carlo driven by local environment recognition — •King Chun Lai, Sebastian Matera, Christoph Scheurer, and Karsten Reuter
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12:30 |
MM 2.9 |
Atomistic Simulation Study of Li-Aluminosilicate Glass Scintillators — •El Mehdi Ghardi, Prince Rautiyal, Fiona Pearce, Anita Crompton, Lee Evits, Simon Middleburgh, William Lee, and Michael Rushton
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12:45 |
MM 2.10 |
Bonding descriptor based approach for analysing and finding new Photovoltaic absorbers — •Jakob Johannes Lötfering and Matthias Wuttig
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