ricalessandri
NWO Rubicon Fellow @depablogroup, University of Chicago. Previously @marrink-lab, University of Groningen.
University of ChicagoChicago, IL
Pinned Repositories
polyply_1.0
Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
ECG-RedoxPoly-Cathode
Data and code associated with https://arxiv.org/abs/2209.02072 / https://doi.org/10.1021/acs.macromol.3c00141
evaporate
Generate soft matter blends via simulated solvent evaporation
GitPresentation
Presentation material for MD lab git tutorial
Martini3-mappings
Mapping small-molecules to Martini 3 coarse-grained representations
Martini3-small-molecules
Martini 3 small-molecule database
misctab
Scripts for binary mixtures
redox-active-polymers
Multiscale models of redox-active, radical-containing polymers for all organic batteries
scattering
Simulated scattering patterns
PySAGES
Python Suite for Advanced General Ensemble Simulations
ricalessandri's Repositories
ricalessandri/Martini3-small-molecules
Martini 3 small-molecule database
ricalessandri/Martini3-mappings
Mapping small-molecules to Martini 3 coarse-grained representations
ricalessandri/evaporate
Generate soft matter blends via simulated solvent evaporation
ricalessandri/GitPresentation
Presentation material for MD lab git tutorial
ricalessandri/misctab
Scripts for binary mixtures
ricalessandri/scattering
Simulated scattering patterns
ricalessandri/Backward
Mapping from Coarse Grain Models to Atomistic (and Back)
ricalessandri/cgbuilder
Build coarse-grained mapping for molecules from a web-GUI
ricalessandri/ECG-RedoxPoly-Cathode
Data and code associated with https://arxiv.org/abs/2209.02072 / https://doi.org/10.1021/acs.macromol.3c00141
ricalessandri/redox-active-polymers
Multiscale models of redox-active, radical-containing polymers for all organic batteries
ricalessandri/CGsmiles
Coarse-Grained Smiles (CGsmiles) for representing abitrarily complex molecules using a compact line notation
ricalessandri/martini-forcefields
Collection of interaction and molecule parameters for the Martini3 force-field
ricalessandri/PolyP3HT
Polymerize Atomistic P3HT
ricalessandri/polyply_1.0
ricalessandri/PySAGES
Python Suite for Advanced General Ensemble Simulations
ricalessandri/ricalessandri.github.io
My personal website