Regensburg 2016 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 42: Focus: Multiscale Simulations for Soft Matter: The Challenge of Dynamics (joint session CPP/DY, organized by CPP)

Mittwoch, 9. März 2016, 15:00–18:15, H51

	15:00	CPP 42.1	Reactive molecular dynamics simulations of NaOH solutions — •Matti Hellström and Jörg Behler
	15:15	CPP 42.2	Benchmark of a Reparametrized OPLS Force Field for Chlorinated Hydrocarbons Using Molecular Dynamics Simulations — •Zhu Liu, Jakob Timmermann, Karsten Reuter, and Christoph Scheurer
	15:30	CPP 42.3	Thermodynamics of polymer nematics: particle-based simulations versus mean-field calculations — •Cristina Greco, Kurt Kremer, and Kostas Daoulas
	15:45	CPP 42.4	Comparing atomistic and coarse-grained simulations of P3HT — •Jonathan Gross, Momchil Ivanov, and Wolfhard Janke
	16:00	CPP 42.5	Hauptvortrag: A coarse-grained model for DNA: dynamics of self-assembling biological systems and nanostructures. — •Ard Louis
	16:30		15 min. break
	16:45	CPP 42.6	Cycle representatives for the coarse-graining of systems driven into a non-equilibrium steady state — •Fabian Knoch and Thomas Speck
	17:00	CPP 42.7	Improving the kinetics from molecular simulations using biased Markov state models — •Joseph Rudzinski, Kurt Kremer, and Tristan Bereau
	17:15	CPP 42.8	Hauptvortrag: Principle of Maximum Caliber and its application in biology — •Kingshuk Ghosh
	17:45	CPP 42.9	Hauptvortrag: Coarse-graining of conservative and non-conservative interactions in molecular liquids — •Nico van der Vegt