Our research focuses on the development of accurate yet affordable models for chemical simulation.

Software and data

• AlexandriaChemistry https://github.com/AlexandriaChemistry
• David on github https://github.com/dspoel
• GROMACS https://www.gromacs.org
• Alexandria Library on Zenodo https://zenodo.org/records/6363016

Collaborations

• Luciano T. Costa, UNIVERSIDADE FEDERAL FLUMINENSE, Brazil
• Csaba Hetényi, Pharmacoinformatics Unit, University of Pécs, Hungary
• Carl Caleman, Dept. Physics and Astronomy, Uppsala University, Sweden