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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

Prof. Dr.-Ing. André Brinkmann Zentrum für Datenverarbeitung Universität Mainz Anselm-Franz-von-Bentzel-Weg 12 D-55099 Mainz Tel: +49 6131 39 26390 Fax: +49 6131 39 26407 Mail: brinkman@uni-mainz.de Further information

Prof. Dr. Benno Liebchen Institut für Festkörperphysik Technische Universität Darmstadt Hochschulstraße 6-8 D-64289 Darmstadt Tel: +49 6151 16 24509 Mail: liebchen@fkp.tu-darmstadt.de Further information

Prof. Dr. Omar Valsson Department of Chemistry University of North Texas 1155 Union Circle #305070 Denton, Texas 76203 Tel: +1 940 369 7593 Mail: omar.valsson@unt.edu Further information

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 […]

Support for attendance of conferences Presentation of the research results in workshops and conferences is a fundamental requirement in the formation of a scientist. Students of the IRTG are requested to attend at least two events per year (workshops, conferences, or schools), where they present their research work as a poster or an oral presentation. (Only first year PhD students may travel without presenting own work). The CRC-TR may provide financial support for the travel expenses, available upon application to the CRC-TR office. The choice of the conference/workshop is made by the students with the support of the thesis supervisor. This activity is meant to foster the students’ independence and project planning skills and gives them the opportunity to interact with other scientists and expand their scientific network. On the other hand, it represents one of the most effective means to give visibility to the work of the CRC-TR and […]

Lecture cycle A series of lectures on topics related to the CRC-TR is organized by the IRTG. The aim of this activity is to provide appropriate training to all the young members of the CRC-TR, foster discussions and ex-change, and create networking opportunities. The main pool of speakers for these lectures will be the PIs of the CRC-TR, but external guest speakers will be invited as well. Students of the IRTG organize the lecture cycle with the support of the IRTG coordinators. Students also have the opportunity to propose guest speakers.

Student seminar cycle This activity is meant to foster scientific exchange between students and to help them to organize the other student activities. It takes place every month, alternating between Mainz and Darmstadt, and in combination with the Lecture cycle. Students are requested to periodically present their research progress in front of the other students (ideally once per year), taking into account the interdisciplinary background of the audience. Presentations are no longer than 30min plus discussion (two presentations per session). This meeting are also used to elect the student speakers and discuss IRTG and CRC-TR related issues among the students, such as suggestions for the annual retreat, the complementary training opportunities, external guests, and the organization of the summer schools. The students organize this activity themselves, with the support of the IRTG heads and coordinators.

Annual Retreat The annual retreats are meant to foster scientific exchange, collaboration and team building within the CRC-TR. Every year, students and post-docs in the CRC-TR get together at an annual retreat, which is organized by the students themselves with the help of the IRTG coordination office. PIs do not participate in these retreats. However, students have funds to invite external speakers. During the retreat the attendees have the opportunity to present their work to their peers and discuss possible opportunities for exchange and collaborations. Guests, from the academia or from the industry, also give the attendants further opportunity to create new links/collaborations and extend their personal scientific network.