The AdResS method (Adaptive Resolution Simulation Scheme) and its application to condensed matter

by Prof. Luigi Delle Site (Planck Institute for polymer research , GERMANY)

Thursday 11 Sept 2008, 15:30 → 16:30 Europe/Rome

Aula Conversi (Dip. di Fisica - Edificio G. Marconi)

An adaptive resolution scheme for particle-based multiscale MD simulations is discussed. The scheme allows for a dynamical change of the number of molecular degrees of freedom by an on-the-fly switching between the atomistic and coarse grained levels of detail that preserves the statistical properties of the system. Recent applications to solvated polymers and water are presented.