Concurrent Multiscale Simulations
Developing new methods for concurrent multiscale simulations, where the system is simultaneously simulated at different resolution level models in different simulation domains.
Recent Papers:
Back-mapping augmented adaptive resolution simulation
S. Thaler, M. Praprotnik, J. Zavadlav, J. Chem. Phys. 2020, paper
We present Energy Minimized Atomistic (AT) Insertion (EMATI) method for informed insertion of DOF that enables a direct coupling of AT and coarse-grained models.
