Dresden 2020 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 71: Modelling and Simulation of Soft Matter II (joint session CPP/DY)

Mittwoch, 18. März 2020, 15:00–16:45, ZEU 255

15:00 CPP 71.1 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
15:15 CPP 71.2 BoltzmaNN: Heuristic inverse design of pair potentials using neural networks — •Fabian Berressem, Mihir Khadilkar, and Arash Nikoubashman
15:30 CPP 71.3 Prediction of iSCFT chemical potentials via machine learning — •Lucia Milena Wesenberg, Ludwig Schneider, and Marcus Müller
15:45 CPP 71.4 PolyEC - an event-chain framework — •Tobias A. Kampmann, David Müller, and Jan Kierfeld
16:00 CPP 71.5 Analytical and computational study of advection-diffusion-reaction processes in catalytic fibrous membranes — •Gabriel Sitaru and Stephan Gekle
16:15 CPP 71.6 The stability field of the chiral CO2 water hydrate from molecular dynamics simulations — •Marcello Sega, Jakob Michl, and Christoph Dellago
16:30 CPP 71.7 Mechanics of shape-shifting droplets — •Ireth Garcia-Aguilar, Piermarco Fonda, Eli Sloutskin, and Luca Giomi
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