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Regensburg 2022 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 2: Computational Materials Modelling: Energy Materials

Monday, September 5, 2022, 10:15–13:00, H44

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
  10:30 MM 2.2 The contribution has been withdrawn.
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
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
11:15 MM 2.5 Exploration of cathode-stable layered solid-state electrolytes — •Sina Ziegler, Christoph Scheurer, and Karsten Reuter
  11:30 15 min. break
11:45 MM 2.6 Ab-initio core spectroscopy of LiCoO2 and CoO2Daniel Duarte Ruiz and •Caterina Cocchi
12:00 MM 2.7 High-throughput computational screening of fast Li-ion conductors — •Tushar Thakur, Loris Ercole, and Nicola Marzari
12:15 MM 2.8 Adaptive kinetic Monte Carlo driven by local environment recognition — •King Chun Lai, Sebastian Matera, Christoph Scheurer, and Karsten Reuter
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
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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