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Program PI Retreat 14.11.-15.11.2023 Tuesday, 14.11.2023 10:00-11:00 Arrival, Coffee and Board Meeting (for Board Members) 11:00-11:30 Update on Finances and IRTG 11:30-12:15 Talk by Martin Oberlack 12:15-13:30 Lunch Break 13:30-14:15 Talk by Thomas Speck 14:15-15:00 Talk by Friederike Schmid 15:00-16:00 Coffee Break 16:00-16:45 Talk by Michael Vogel 16:45-17:30 Talk by Lisa Hartung 17:30-18:00 Check-In 18:00-21:00 Winetasting and Dinner Wednesday, 15.11.2023 09:30-10:15 Talk by Lukas Stelzl (hybrid) 10:15-10:45 Coffee break 10:45-11:30 Talk by Maria Lukacova 11:30-12:15 Talk by Kostas Daoulas 12:15-13:30 Lunch Break 13:30-14:15 Talk by Evangelia Charvati 14:15-open end PI Plenum and Final Discussions with Coffee
IRTG Programming School 2023 – Program During the Programming School we will cover: Coarse-graining, deep learning, finite element methods, computational fluid dynamics, machine learning und stochastic processes. Monday, 25.09.2023 11:00-12:00 Talk about Machine Learning by Michael Wand 12:00-13:00 Tutorial on Machine Learning by Kyra Klos and Alexander Segner 13:00-14:00 Lunch 14:00-15:00 Talk about Deep Learning by Michael Wand 15:00-15:30 Coffee Break 15:30-17:30 Tutorial on Deep Learning by Kyra Klos and Alexander Segner 18:15-19:00 Dinner (only for people staying overnight) Tuesday, 26.09.2023 10:00-11:00 Talk about the Finite Element Method by Aaron Brunk 11:00-11:30 Coffee Break 11:30-12:30 Talk about Comutational Fluid Dynamics by Aaron Brunk 12:30-13:30 Lunch 13:30-15:00 Tutorial 1 on Computational Fluid Dynamics using the Finite Element Method by Aaron Brunk 15:30-16:00 Coffee Break 16:00-17:30 Tutorial 2 on Computational Fluid Dynamics using the Finite Element Method by Aaron Brunk 18:15-19:00 Dinner (only for people staying overnight) Wednesday, 27.09.2023 10:00-11:00 […]
Dr. Joseph F. Rudzinski Max-Planck-Institut für Polymerforschung Ackermannweg 10 D-55128 Mainz Tel: +49 6131 379478 Mail: rudzinski@mpip-mainz.mpg.de Further information
Project A10 (New): Population control of multiple walker simulations via a birth/death process Conventional Molecular Dynamics (MD) simulations are generally unable to access the long-timescale phenomena that are common in nature. This timescale problem comes from the fact that a typical free energy landscape consists of many metastable states separated by high free energy barriers. If the barriers are much higher than the thermal energy, the system is kinetically trapped in some metastable state and barrier crossings will be rare events on the time scales that we can simulate. One strategy to alleviate this time scale problem is to employ collective variable (CV) based enhanced sampling methods such as metadynamics. A common way to improve the performance of CV-based methods is to employ multiple walkers that share a bias potential and collaboratively sample the free energy landscape. In this way, one reduces the wall-clock time for convergence and makes better […]
Prof. Dr. Davide Donadio Max Planck-Institut für Polymerforschung moved to UC Davis 163A Chemistry 95616, USADavis, CA Tel: +1 (530) 754 1040 Mail: ddonadio@ucdavis.edu Further information
Dr. Yuki Nagata Max Planck-Institut für Polymerforschung Ackermannweg 10 D-55128 Mainz Tel: +49 6131 379380 Fax: +49 6131 379360 Mail: nagata@mpip-mainz.mpg.de Further information
Prof. Dr. Nico van der Vegt Institut für Physikalische Chemie Technische Universität Darmstadt Alarich-Weiss-Straße 10 D-64287 Darmstadt Tel: +49 6151 16 4356 Fax: +49 6151 16 2048 Mail: vandervegt@cpc.tu-darmstadt.de Further information
Dr. Denis Andrienko Max Planck-Institut für Polymerforschung Ackermannweg 10 D-55128 Mainz Tel: +49 6131 379340 Fax: +49 6131 379340 Mail: denis.andrienko@mpip-mainz.mpg.de Further information
Dr. Tristan Bereau Max Planck-Institut für Polymerforschung Ackermannweg 10 D-55128 Mainz Tel: +49 6131 379478 Fax: +49 6131 379340 Mail: bereau@mpip-mainz.mpg.de Further information
Dr. Robin Cortes-Huerto Max Planck-Institut für Polymerforschung Ackermannweg 10 D-55128 Mainz Tel: +49 6131 379-201 Fax: +49 6131 379340 Mail: corteshu@mpip-mainz.mpg.de Further information