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Research Zernike (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
Last modified:27 March 2020 09.53 a.m.
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