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

Projects – C: Bridging the particle-continuum gap • C1: Using molecular fields to bridge between particle and continuum representations of macromolecular systems • C3: Spinodal decomposition of polymer-solvent systems • C4 (E): Nonlocal electrostatics of biomolecular systems • C5: Adaptive hybrid multiscale simulations of soft matter fluids • C6 (E): Linking hydrodynamics and microscopic models of wet active matter with anisotropic particles • C7: Dense active suspensions in the chaotic regime • C8: Numerical approximation of high-dimensional Fokker-Planck equations

Admission and Qualification Admission Students funded directly by the TRR146 are automatically admitted to the IRTG. External students can apply for admission by presenting a CV and a one-page project plan to the TRR146 Office where they explain how their project fits TRR146 topics. The application will be evaluated by the PIs of the IRTG. We anticipate that workshop and conference travel funding for admitted external students will be limited and accessible only upon application. Qualification plan The most important training element of the IRTG is the research on the project, assisted by efficient supervision . In addition, the integrated training group serves as a mean to provide students and young postdoctoral researchers with the training required for working within the CRC-TR. The training is made necessary by the interdisciplinary nature of the CRC-TR, where chemistry, physics, mathematics and computer science are intertwined in a non-standard combination, which is usually […]

IRTG Organization Currently, the student/postdoc speakers are • Rebecca Steiner (further information) • Fabio Frommer (further information) • Moritz Mathes (further information) • Maarten Brems (further information)

Projects B: Particle based coarse-graining and mixed resolution schemes • B1: Inverse problems in coarse-grained particle simulations • B2: Many-body effects and optimized mapping schemes for systematic coarse-graining • B3: Coarse-graining of solvent effects in force-probe molecular dynamics simulations • B4: Equilibrium and non-equilibrium processes in open systems via adaptive resolution simulations • B5: Multi-resolution methods including quantum chemistry, force fields, and hybrid particle-field schemes • B6: Topological validation of coarse-grained polymer models • B7: Machine learning for multiscale simulations • B8 (N): Hydrodynamic Simulation of Passive and Active Janus Particles

Projects – A: Dynamics • A2: Dynamically consistent coarse-grained models • A3: Coarse-graining frequency-dependent phenomena and memory in colloidal systems • A4 (E): Understanding Water Relaxation Dynamics at Interfaces • A5 (E): Heat transfer in polymer nanocomposites • A6: Dynamic heterogeneities in coarse-grained and fine-grained models of liquid crystals and ionic liquids • A7: Dynamical coarse-graining for non-equilibrium steady states with stochastic dynamics • A8: Roberto – Improved dynamics in self-consistent field molecular dynamics simulations of polymers • A9: Coarse grained nonequilibrium dynamics of active soft matter • A10 (N): Population control of multiple walker simulations via a birth/death process

Projects Dynamics • A2: Dynamically consistent coarse-grained models • A3: Coarse-graining frequency-dependent phenomena and memory in colloidal systems • A4 (E): Understanding Water Relaxation Dynamics at Interfaces • A5 (E): Heat transfer in polymer nanocomposites • A6: Dynamic heterogeneities in coarse-grained and fine-grained models of liquid crystals and ionic liquids • A7: Dynamical coarse-graining for non-equilibrium steady states with stochastic dynamics • A8: Roberto – Improved dynamics in self-consistent field molecular dynamics simulations of polymers • A9: Coarse grained nonequilibrium dynamics of active soft matter • A10 (N): Population control of multiple walker simulations via a birth/death process Particle based coarse-graining and mixed resolution schemes • B1: Inverse problems in coarse-grained particle simulations • B2: Many-body effects and optimized mapping schemes for systematic coarse-graining • B3: Coarse-graining of solvent effects in force-probe molecular dynamics simulations • B4: Equilibrium and non-equilibrium processes in open systems via adaptive resolution simulations • B5: […]

Publications List of all publications sorted by year • 2023 • 2022 • 2021 • 2020 • 2019 • 2018 • 2017 • 2016 • 2015 • before 2015 2023 – Publications 2022 – Publications 2021 – Publications 2020 – Publications 2019 – Publications 2018 – Publications 2017 – Publications 2016 – Publications 2015 – Publications pre 2015 – Publications