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

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

TRR 146 Open Positions In the framework of the TRR 146 “Multiscale simulations methods for Soft-Matter systems” the following job positions have been made available. Please follow the links for further information and instructions for the application. The university intends to increase the number of women amongst its academic personnel and expressly encourages qualified women to apply. Preference will be given to disabled applicants with equal qualifications.

TRR 146: Multiscale Simulation Methods for Soft Matter Systems Multiscale modeling is a central topic in theoretical condensed matter physics and materials science. One prominent class of materials, whose properties can rarely be understood on one length scale and one time scale alone, is soft matter. The properties of soft materials are determined by an intricate interplay of energy and entropy, and minute changes of molecular interactions may lead to massive changes of the system’s macroscopic properties. In our collaborative research center (CRC TRR 146), we plan to tackle some of the most pressing problems in multiscale modeling in a joint effort of physicists, chemists, applied mathematicians, and computer scientists. The TRR 146 receives funding from the german science foundation (DFG) since October 2014. We address three major challenges: (A) Dynamics In the past, multiscale coarse-graining approaches have to a large extent focused on static equilibrium properties. However, a thorough […]