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DY 44: Modelling and Simulation of Soft Matter II (joint session CPP/DY)
Mittwoch, 18. März 2020, 15:00–16:45, ZEU 255
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15:00 |
DY 44.1 |
Machine Learning Inter-Atomic Potentials Generation Driven by Active Learning: A Case Study for Amorphous and Liquid Hafnium dioxide — •Anand Narayanan Krishnamoorthy, Ganesh Sivaraman, Matthias Baur, Christian Holm, Chris Benmore, Marius Stan, Gabor Csanyi, and Álvaro Vázquez--Mayagoitia
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15:15 |
DY 44.2 |
BoltzmaNN: Heuristic inverse design of pair potentials using neural networks — •Fabian Berressem, Mihir Khadilkar, and Arash Nikoubashman
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15:30 |
DY 44.3 |
Prediction of iSCFT chemical potentials via machine learning — •Lucia Milena Wesenberg, Ludwig Schneider, and Marcus Müller
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15:45 |
DY 44.4 |
PolyEC - an event-chain framework — •Tobias A. Kampmann, David Müller, and Jan Kierfeld
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16:00 |
DY 44.5 |
Analytical and computational study of advection-diffusion-reaction processes in catalytic fibrous membranes — •Gabriel Sitaru and Stephan Gekle
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16:15 |
DY 44.6 |
The stability field of the chiral CO2 water hydrate from molecular dynamics simulations — •Marcello Sega, Jakob Michl, and Christoph Dellago
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16:30 |
DY 44.7 |
Mechanics of shape-shifting droplets — •Ireth Garcia-Aguilar, Piermarco Fonda, Eli Sloutskin, and Luca Giomi
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