Search Results

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 […]

Research opportunities for Ukrainian scientists The Collaborative Research Centre Transregio 146 "Multiscale Simulation Methods for Soft Matter Systems" in Mainz and Darmstadt is offering research opportunities to Ukrainian scientists who fled Uraine. If you are for example a physicist, chemist, mathematician, computer scientist or engineer, and your research interests are within the scope of the TRR146, please contact us, and we will figure something out. Please contact: mhaack@uni-mainz.de

Dr. Raffaello Potestio Physics Dept., University of Trento, Italy Via Sommarive 14 I-38123 Povo, Trento Tel: +39 461 282912 Mail: raffaello.potestio@unitn.it Further information

Members Dr. Denis Andrienko Prof. Dr.-Ing. André Brinkmann Prof. Dr. Michele Cascella Dr. Robin Cortes-Huerto Dr. Kostas Daoulas Prof. Dr. Gregor Diezemann Prof. Dr. Burkhard Dünweg Prof. Dr. Herbert Egger Prof. Dr. Jürgen Gauss Prof. Dr. Martin Hanke-Bourgeois Jun.-Prof. Dr. Lisa Hartung Prof. Dr. Kurt Kremer Dr. Oleksandra Kukharenko Prof. Dr. Benno Liebchen Prof. Dr. Maria Lukáčová Prof. Dr. Florian Müller-Plathe Dr. Arash Nikoubashman Prof. Dr.-Ing. Martin Oberlack Dr. Joseph F. Rudzinski Prof. Dr. Friederike Schmid Prof. Dr. Thomas Speck Dr. Lukas Stelzl Dr. Stella Stopkowicz Dr. Torsten Stühn Prof. Dr. Nico van der Vegt Dr. Peter Virnau Prof. Dr. Michael Vogel Prof. Dr. Michael Wand Prof. Dr. Yongqi Wang

Dr. Alf Gerisch Institut für Mathematik Technische Universität Darmstadt Dolivostr. 15 D-64293 Darmstadt Tel: +49 6151 16 70994 Fax: +49 6151 16 2747 Secr: +49 6151 16 4687 Mail: gerisch@mathematik.tu-darmstadt.de Further information

Prof. Dr. Jens Lang Institut für Mathematik Technische Universität Darmstadt Dolivostr. 15 D-64293 Darmstadt Tel: +49 6151 16 2389 Fax: +49 6151 16 2747 Secr: +49 6151 16 4687 Mail: lang@mathematik.tu-darmstadt.de Further information

Collaborators Prof. Dr. Markus Bachmayr Dr. Tristan Bereau Prof. Dr. Davide Donadio Dr. Sara Jabbari Farouji Dr. Alf Gerisch Prof. Dr. Andreas Hildebrandt Prof. Dr. Jens Lang Dr. Frédéric Leroy Dr. Yuki Nagata Dr. Raffaello Potestio Prof. Dr. Thorsten Raasch Dr. Giovanni Settanni Prof. Dr. Marialore Sulpizi Prof. Dr. Omar Valsson

People Organisation Spokesperson Prof. Dr. Friederike Schmid Vice spokespersons Prof. Dr. Kurt Kremer Prof. Dr. Maria Lukáčová Prof. Dr. Nico van der Vegt Scientific coordinator Niklas Litzenberger Administration Dr. Markus Haack Board members Prof. Dr. Kurt Kremer Prof. Dr. Benno Liebchen Prof. Dr. Maria Lukáčová Prof. Dr. Friederike Schmid Prof. Dr. Nico van der Vegt Members Dr. Denis Andrienko Prof. Dr.-Ing. André Brinkmann Prof. Dr. Michele Cascella Dr. Robin Cortes-Huerto Dr. Kostas Daoulas Prof. Dr. Gregor Diezemann Prof. Dr. Burkhard Dünweg Prof. Dr. Herbert Egger Prof. Dr. Jürgen Gauss Prof. Dr. Martin Hanke-Bourgeois Jun.-Prof. Dr. Lisa Hartung Prof. Dr. Kurt Kremer Dr. Oleksandra Kukharenko Prof. Dr. Benno Liebchen Prof. Dr. Maria Lukáčová Prof. Dr. Florian Müller-Plathe Dr. Arash Nikoubashman Prof. Dr.-Ing. Martin Oberlack Dr. Joseph F. Rudzinski Prof. Dr. Friederike Schmid Prof. Dr. Thomas Speck Dr. Lukas Stelzl Dr. Stella Stopkowicz Dr. Torsten Stühn Prof. Dr. Nico van der Vegt […]

Download Center PhD management • template formal Doctoral Agreement (LaTeX) • template formal Doctoral Agreement (Word) • template progress report (LaTeX) • template progress report (Word)

PhD progress management Every student selects a thesis committee within the first year of their PhD. The thesis committee is formed by two people, one being a senior member of the CRC-TR. A formal Doctoral Agreement will be prepared and signed by the student and the thesis committee at the beginning of the PhD. Besides regular supervision meetings with her/his supervisor, students of the IRTG have a yearly formal meeting with the thesis committee to discuss the progress of the doctoral work. In preparation of the meeting, the students will submit a progress report to the thesis committee. During the meeting students will have to explain their work in a short presentation, followed by a thorough discussion of the progress report in relation to the goals set in the previous formal meeting or at the beginning of the doctoral studies. During the meeting, a list of goals for the next […]