ricalessandri

Riccardo Alessandri's repositories

Martini 3 small-molecule database

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Mapping small-molecules to Martini 3 coarse-grained representations

Generate soft matter blends via simulated solvent evaporation

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Presentation material for MD lab git tutorial

Scripts for binary mixtures

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Simulated scattering patterns

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Mapping from Coarse Grain Models to Atomistic (and Back)

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

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

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Multiscale models of redox-active, radical-containing polymers for all organic batteries

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

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Collection of interaction and molecule parameters for the Martini3 force-field

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Polymerize Atomistic P3HT

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Python Suite for Advanced General Ensemble Simulations

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My personal website

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