Research
Research at the Computational Design Center focuses on:
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Multiscale method development
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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](/research/zernike/computational-design-center/martini-model_695x242px.png)
![Adaptive resolution simulation in which coarse-grain and all-atom water models are changing resolution on-the-fly](/research/zernike/computational-design-center/cdc-highlight-multiscale.png)
![Snapshot of an atomistic simulation of the molecular packing in a fullerene-polymer blend used for OPV](/research/zernike/computational-design-center/cdc-highlight-opv-sub.png)
![Simulation view on selective wrapping of a CNT by a polymer](/research/zernike/computational-design-center/cdc-highlight-cnt_sub.png)
![OPV](/research/zernike/computational-design-center/cdc-highlight-cnt_sub.png)
OPV
![Martini model](/research/zernike/computational-design-center/martini-model2.png)
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Last modified: | 27 March 2020 09.53 a.m. |