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Introduction to ESPResSo

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http://www.icp.uni-stuttgart.de<br />

<br />

<br />

Coarse-Graining<br />

All-A<strong>to</strong>m Models<br />

<br />

<br />

Model all a<strong>to</strong>ms and their interactions with semi-quantitative parameters<br />

Only small systems and short times can be simulated<br />

Coarse-Grained Models<br />

<br />

Time scale<br />

Coarse-Graining<br />

All-A<strong>to</strong>m<br />

Quantum<br />

Molecular<br />

Only model “important” degrees of freedom<br />

<br />

Allows for much larger time and length scales<br />

Olaf Lenz<br />

<strong>Introduction</strong><br />

Soft Fluid<br />

Finite<br />

Elements<br />

Length scale<br />

2/29

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