Research group

Manby and Tew research groups, January 2010: L-R: Dave Glowacki, Yuki Kurashige (visitor), Daniel Goetz, David Tew, James Womack, Fred Manby, Stephen Nolan, Peter Bygrave, Chris Taylor, Greg Bellchambers, Kerensa Slade, Christopher Woods, Darragh O'Neill and David Case.
A clay-pigeon-shooting trip, Autumn 2008. L-R: Henk, Dave, Kerensa, Darragh, Pete, Fred, Steve, Phil, the fellow who tried to teach us how to shoot, an amiable dog, Greg
Visitors
- Prof Yuki Kurashige (2010), Visitor from IMS, Japan, Tensor-factorized amplitudes in coupled-cluster theory
Postdocs
- Dr Dave Glowacki (2009–) Condensed-phase reaction dynamics
- Dr Darragh O'Neill (2008–) Ab initio Monte-Carlo simulation of liquids
- Dr Christopher Woods (2007–) Accelerating rational drug design with multi-threaded array processors
Postgraduate students
- Kerensa Slade (2008–) Free-energy methods for solvated reactions [with Adrian Mulholland]
- Peter Bygrave (2008–) Many-body treatment of solids [with Neil Allan]
- Greg Bellchambers (2008–) DFT methods for electron transfer
- Stephen Nolan (2007–) The electron correlation problem in crystalline solids [with Neil Allan]
- David Case (2007–) New approaches to electron correlation
Undergraduate project students
- James Womack (2009/10) Pair correlation theories of electronic structure
- Chris Taylor (2009/10) Nucleation of water clusters using ab initio electronic structure theory
Previous group members
(2006) L-R: Owen, Henk, Senthil, Diccon, Fred, Phil, Ricardo (visiting from Stuttgart), Alisdair, Shiyang
(2008) L-R: Greg, Qinghua, Juliette, Dave, Darragh, Kara, Phil, Pete, Christopher, Fred, Henk and Stephen
- Dr Kara Ranaghan (2006–) Development and application of QM/MM methodology. Now with Dr Adrian Mulholland, Bristol.
- Dr Henk Eshuis (PG 2005–2009) Explicitly propagated time-dependent electronic structure theory. Now with Prof Filipp Furche in UC Irvine.
- Dr Philip Brown (PG 2005–2009) Accurate computational chemistry on MTAP computer architectures. Now at Red Oak Consulting.
- Natasha Harbinson (UG 2008/9) Improving correlation energies using intracules
- Eleanor Brickley (UG 2008/9) Linear relationships between ionic crystal cohesive energies and diatomic binding energies
- Dr Qinghua Ren (PDRA 2008–09) Theoretical treatment of optimal control of molecular transformations [with Gabriel Balint-Kurti]
Now working with Tell Tuttle, Strathclyde - Peter Bygrave (UG 2007/8) Many-body treatment of solids
[with Neil Allan]
[Joint first prize: Hewlett-Packard prize for final year project presentation]
Still here! - Greg Bellchambers (2007/8) Effective solvation models
[Gabriel Balint-Kurti undergraduate prize winner]
[Joint first prize: Hewlett-Packard prize for final year project presentation]
Still here! - Dr Shiyang Zou (PDRA 2005–2008) Theoretical treatment of optimal control of molecular transformations [with Gabriel Balint-Kurti]
Took a permanent position at the Institute of Applied Physics and Computational Mathematics, Beijing - Joshua Nunn (Summer project student, 2007) Benchmarking spin-component-scaled MP2 for basis set corrections
- Austin Dwyer (UG 2006/7) Intracule densities and intracule matrices
Went on to do a PhD with David Tozer at Durham - Michele Memoli (UG 2006/7) Electron correlation in solids and surfaces
- Stephen Nolan (UG 2006/7) Accurate geometries of Ar···XCl for X=H,Li,Na
Stayed to do a PhD supervised jointly by FRM and Neil Allan - Dr Senthilkumar Kittusamy (PDRA 2005–2006) Development and application of QM/MM methodology
Left Bristol to take up a permanent position in India: now a Lecturer in Physics, Bharathiar University, Coimbatore. -
Dr Andrew May
(PhD 2002–2005) Explicitly correlated electronic
structure theory
[First Prize (Joint) for Hewlett-Packard graduate presentation]
[Coulson Prize for presentation at the RSC TCG meeting]
Went on to work with Peter Knowles in Cardiff - Diccon Bate (UG 2005/6) Asymptotic three-body interactions of water
- Owen Dias (UG 2005/6) Asymptotic two-body interactions of water
- Alisdair Wallis (UG 2005/6) Incremental scheme for the treatment of liquid water
Went on to a PhD with Jeremy Hutson in Durham - Philip Brown (UG 2004/5) Non-Born-Oppenheimer treatment of protons
[Highly commended for Final Year UG Project Talk]
Went on to do a PhD in the group. - Max Howell (UG 2003/4) The form of the correlation hole
[First Prize (joint) for Final Year UG Project Talk] - Andrew May (UG 2001/2) Sparse linear algebra in electronic structure theory
[Second Prize for Final Year UG Project Talk] - Scott Habershon (UG 2000/1, Birmingham) Density matrix functional theory
Did a PhD with Roy Johnston in Birmingham and is now in Oxford with David Manolopoulos
