Projects per year
Research in the Manby group is focused on the development of new methods in electronic structure theory and quantum chemistry. We are particularly interested in development of accurate wavefunction-based electronic structure theories, and extension of molecular quantum chemistry into the domain of condensed-phase challenges. Successful electronic structure methods are implemented in the Molpro quantum chemistry package, which is distributed to over 500 research institutions around the world.
Manby is a co-Director of the Oxford-Bristol-Southampton Centre for Doctoral Training in Theory and Modelling in Chemical Sciences.
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1/02/15 → 31/05/18
1/05/13 → 1/05/16
1/05/18 → 30/04/22
A Projector-Embedding Approach for Multiscale Coupled-Cluster Calculations Applied to Citrate SynthaseBennie, S., Van der Kamp, M., Pennifold, R., Stella, M., Manby, F. & Mulholland, A., 14 Jun 2016, In: Journal of Chemical Theory and Computation. 12, 6, p. 2689-2697 9 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-reviewOpen AccessFile43 Citations (Scopus)372 Downloads (Pure)
Bennie, S. J., Stella, M., Miller, T. F. & Manby, F. R., 14 Jul 2015, In: Journal of Chemical Physics. 143, 2, 024105.
Research output: Contribution to journal › Article (Academic Journal) › peer-review50 Citations (Scopus)47 Downloads (Pure)
Manby, F. R., Stella, M., Goodpaster, J. D. & Miller, T. F., Aug 2012, In: Journal of Chemical Theory and Computation. 8, 8, p. 2564-2568 5 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review226 Citations (Scopus)
How Static Disorder Mimics Decoherence in Anisotropy Pump–Probe Experiments on Purple-Bacteria Light Harvesting Complexes