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DTSTART:19700329T020000
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DTSTAMP:20251005T165026
UID:a0d70ffa-a1fa-11f0-bb1e-000e0c3db68b
SUMMARY:ESPResSo Summer School: Dr. Denis Andrienko
DESCRIPTION:Coarse-graining: insights and applications\n \nFirst, we introduce the key elements of classical particle-based coarse-graining, such as coarse-grained representations, force field basis sets and projection operators [1,2,3]. We will then discuss two distinct projection operators: relative entropy and force matching. Finally, we address the necessity of many-body potentials for predicting the properties of molecular systems.\n \n[1] W. Noid, J. Phys. Chem. B, 127, 4174-4207 (2023)\n[2] V. Rühle, C. Junghans, A. Lukyanov, K. Kremer, D. Andrienko, J. Chem. Theory Comput., 5, 3211-3223 (2009)\n[3] C. Scherer, N. Kinaret, K. Lin, M. Qaisrani, F. Post, F. May, D. Andrienko, Advanced Energy Materials, 14, 2403124 (2024)
DTSTART;TZID=Europe/Berlin:20251006T110000
DTEND;TZID=Europe/Berlin:20251006T123000
LOCATION:ICP, , Seminarraum 1.079, Allmandring 3, 70569  Vaihingen 
URL;VALUE=URI:https://www.icp.uni-stuttgart.de/news/events/ESPResSo-Summer-School-Dr.-Denis-Andrienko/
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