About Molecular Stresses

This workshop aims at discussing and devising new and unifying concepts to calculate and understand molecular stresses in complex materials. Such molecular stresses can stem from quantum chemical calculations, atomistic or coarse-grained Molecular Dynamics simulations. They could be inherent to the system, i.e. reflect intrinsic tension or pre-stress, or build up upon applying external mechanical perturbations.

In an informal workshop we will bring together experts from the relevant scientific areas, computational physics, materials science, and biological matter, and will leave room for a few contributed talks from participants as well as many discussions among speakers and participants. There is the possibility to participate in a small practical workshop on Force Distribution Analysis (FDA) with GROMACS or MDStressLab with LAMMPS.

The workshop is completely free of charge e.g. no registration or conference fees.

Meeting Date
Monday, Nov 4th, 2019
Practical Workshop Date
Tuesday, Nov 5th, 2019
Please register here until Sep 30th 2019