Skip to ContentSkip to Navigation
OnderzoekZernike (ZIAM)Berendsen Center for Multiscale Modeling and Material Design

Research

Research at the Computational Design Center focuses on:

  1. Multiscale method development

  2. Advanced material design

Examples of current research projects are listed below.

Development of coarse-grain models for large scale molecular simulation

Example of a coarse-grain force field, the Martini model, representing groups of atoms by effective interaction centers (coarse-grain beads), achieving a speed up of 3 orders of magnitude
Example of a coarse-grain force field, the Martini model, representing groups of atoms by effective interaction centers (coarse-grain beads), achieving a speed up of 3 orders of magnitude
Adaptive resolution simulation in which coarse-grain and all-atom water models are changing resolution on-the-fly
Adaptive resolution simulation in which coarse-grain and all-atom water models are changing resolution on-the-fly
Snapshot of an atomistic simulation of the molecular packing in a fullerene-polymer blend used for OPV
Snapshot of an atomistic simulation of the molecular packing in a fullerene-polymer blend used for OPV
Simulation view on selective wrapping of a CNT by a polymer
Simulation view on selective wrapping of a CNT by a polymer

OPV
OPV
Martini model
Another caption
Development of Coarse-Grain Models

The art of coarse-graining

European Research Center for Exascsale Technology

ERCET (European Research Center for Exascale Technology) is a public-private science alliance between knowledge institutes, industry and governments. The aim is to develop breakthrough technologies involving exascale computing.