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DTSTART:19700329T020000
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DTSTAMP:20251005T165759
UID:aeed8427-a1fb-11f0-bb1e-000e0c3db68b
SUMMARY:ESPResSo Summer School: Dr. Nico van der Vegt
DESCRIPTION:Inverse coarse-graining for parameterizing colored-noise thermostats in soft matter simulations\n \nBottom-up methods for molecular coarse-graining typically overestimate the dynamic properties of the models they generate. This effect speeds up the equilibration of structural and thermodynamic properties in complex soft matter systems, but it can also distort the timescales of dynamic modes in an uncontrolled manner. In my talk, I will present recent advances in developing bottom-up coarse-grained models with more realistic dynamics. The key idea is to employ a colored-noise thermostat, with its memory kernel parameterized using a newly developed inverse coarse-graining method.
DTSTART;TZID=Europe/Berlin:20251010T090000
DTEND;TZID=Europe/Berlin:20251010T094500
LOCATION:ICP, , Seminarraum 1.079, Allmandring 3, 70569  Vaihingen 
URL;VALUE=URI:https://www.icp.uni-stuttgart.de/news/events/ESPResSo-Summer-School-Dr.-Nico-van-der-Vegt/
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