Background and activities

Molecular Modelling, Study of solvation free energy with Explicit solvation shell models and continuum solvation models. PCC CO2 capture studies.

Scientific, academic and artistic work

A selection of recent journal publications, artistic productions, books, including book and report excerpts. See all publications in the database

Journal publications


  • Gupta, Mayuri. (2013) Solvent Characterization for Post Combustion CO2 capture using Molecular Modeling. 2013. ISBN 978-82-471-4556-2.