Computational Chemistry and Data Science

This area integrates the functionalities of Theoretical and Computational Chemistry, artificial intelligence, quantum computing, and immersive molecular visualization using augmented and virtual reality.

 

AD Granja / Montenegro / García-Fandiño
Supramolecular Chemistry based on Peptide nanotubes: Self-assembly and functional properties. (video)
Chemical Biology: Novel strategies to cross the lipid bilayer for gene therapy
Multiscale Simulations & Molecular visualization: Computational chemistry apply to the study of the origin of life
D Fernández-Ramos

Theoretical and Computational Chemistry: Simulation of chemical reactions