• 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)

20022022
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Research Output 2002 2020

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Chapter
2013
4 Citations (Scopus)

Density functional treatment of interactions and chemical reactions at interfaces

Gomes, J. R. B., Fajín, J. L. C., Cordeiro, M. N. D. S., Teixeira, C., Gomes, P., Pillai, R. S., Novell-Leruth, G., Toda, J. & Jorge, M., 1 Jul 2013, Density Functional Theory: Principles, Applications and Analysis. Morin, J. (ed.). New York, p. 1-58 58 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

chemical reactions
molecules
transition metals
interactions
density functional theory