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Software development

Here you will find a list of software developed or collaborated by IQTCUB members.

Biopolymer Diffusion in Crowded Media


DFT exchange-correlation functionals, aimed at maximizing the accuracy in describing a broad set of properties of transition metal systems

Fragment dissolved molecular dynamics

Program for the Stereochemical Analysis of Molecular Fragments by Means of Continous Shape Measures and Associated Tools (SHAPE )

Simulation of Titration of weak polyelectrolytes