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Riccardo Alessandri's Projects

backward icon backward

Mapping from Coarse Grain Models to Atomistic (and Back)

cgbuilder icon cgbuilder

Build coarse-grained mapping for molecules from a web-GUI

cgsmiles icon cgsmiles

Coarse-Grained Smiles (CGsmiles) for representing abitrarily complex molecules using a compact line notation

ecg-redoxpoly-cathode icon ecg-redoxpoly-cathode

Data and code associated with https://arxiv.org/abs/2209.02072 / https://doi.org/10.1021/acs.macromol.3c00141

evaporate icon evaporate

Generate soft matter blends via simulated solvent evaporation

pysages icon pysages

Python Suite for Advanced General Ensemble Simulations

redox-active-polymers icon redox-active-polymers

Atomistic models for multiscale simulations of redox-active, radical-containing polymers for all organic batteries

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