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: 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

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

Central service project G

•	G: Central soft matter simulation platform

Integrated Research Training

•	MGK: Integrated Research Training Group