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Regensburg 2022 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 9: Modeling and Simulation of Soft Matter (joint session CPP/DY)

Montag, 5. September 2022, 15:00–17:45, H39

15:00 CPP 9.1 Machine Learning of consistent thermodynamic models using automatic differentiation — •David Rosenberger, Kipton Barros, Timothy Germann, and Nicholas Lubbers
15:15 CPP 9.2 Atomistic Machine Learning for Aqueous Ionic Solutions — •Philip Loche, Kevin K. Huguenin-Dumittan, and Michele Ceriotti
15:30 CPP 9.3 Identification of glass transition temperature for polymer melts using data-driven methods — •Atreyee Banerjee, Hsiao-ping Hsu, Oleksandra Kukharenko, and Kurt Kremer
15:45 CPP 9.4 Systematic parametrization of non-Markovian dissipative thermostats for coarse-grained molecular simulations with accurate dynamics — •Viktor Klippenstein and Nico F. A. Van Der Vegt
  16:00 CPP 9.5 The contribution has been withdrawn.
16:15 CPP 9.6 Modulating internal transition kinetics of responsive macromolecules by collective crowding — •Nils Göth, Upayan Baul, Michael Bley, and Joachim Dzubiella
  16:30 15 min. break
16:45 CPP 9.7 Modelling process-structure-properties of polymer nanocomposites — •Janett Prehl, Constantin Huster, and Karl Heinz Hoffmann
17:00 CPP 9.8 A cosolvent surfactant mechanism affects polymer collapse in miscible good solvents — •Swaminath Bharadwaj, Divya Nayar, Cahit Dalgicdir, and Nico van der Vegt
17:15 CPP 9.9 Water transport in soft nanoporous materials: Impact of mechanical response on dynamics, slippage and permeance — •Alexander Schlaich, Matthieu Vandamme, Marie Plazanet, and Benoit Coasne
17:30 CPP 9.10 Solvation structure of polymer cathodes for Li/S batteries — •Diptesh Gayen, Yannik Schuetze, Sebastien Groh, and Joachim Dzubiella
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