• United Kingdom

Accepting PhD Students

PhD projects

- Computational design of bio-inspired silica materials for carbon capture (https://www.findaphd.com/phds/project/computational-design-of-bio-inspired-silica-materials-for-carbon-capture/?p84051) - Predicting drug solubility in different solvents using molecular simulation and machine learning (https://www.findaphd.com/phds/project/predicting-drug-solubility-in-different-solvents-using-molecular-simulation-and-machine-learning/?p84053)

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Research Output 2002 2020

Chapter (peer-reviewed)

Density functional treatment of interactions and chemical reactions at surfaces

Gomes, J. R. B., Fajín, J. L. C., D. S. Cordeiro, M. N., Teixeira, C., Gomes, P., Pillai, R. S., Novell-Leruth, G., Toda, J. & Jorge, M., 21 May 2013, Density Functional Theory : Principles, Applications and Analysis. Morin, J. & Pelletier, J. M. (eds.). Hauppauge, New York

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Chemical reactions
Transition metals
Density functional theory