Tim is a former student who was apart of the TMCS CDT. He worked on using Unsöld-type approximations to make a novel class of correlation density functionals. He was also heavily involved in the looking after entos package.
Harry Stroud (UG 2017/18) worked on time-dependent and time-independent theories of nonadiabatic dynamics for model Hamiltonians. Was accepted as a student in the TMCS CDT.
Joe Harper (UG 2017/18) worked on computing interaction potentials between water molecules under confinement in carbon nanotubes.
Rich Hall (UG 2017/18) worked on benchmarking delta-SCF against TDDFT for excited states of small chromophores.
Dr Felix Vaughan (PG 2013–2017) working on Efficiency of energy capture in bacterial photosynthesis
Dr Takashi Tsuchiya (2015–2017) now working for a company in Japan. Takashi worked on Embedded mean-field theory: chemical simulation in complex environments, funded by EPSRC EP/M013111/1
Jenna Ram (UG 2016/17) worked on time-dependent and time-independent theories of nonadiabatic dynamics for model Hamiltonians.
Joseph Salmon (UG 2016/17) worked on building model excitonic Hamiltonians for light harvesting complexes in purple bacteria.
Prof Casper Steinmann (2014–2016) now a professor at Aalborg University in Denmark. Models for environment polarization based on the polaron transform.
Dr Clem Stross (PG 2012–2016) Energy transfer and initial states in photosynthetic complexes
Dr Kaito Miyamoto (PG 2013–2016) Mean-field embedding theory for large-scale electronic structure calculations (funded by Toyota Central R&D Labs)
Dr Rob Pennifold (PG 2012–2016) Accurate mechanistic studies of large catalytic systems: accessing high-level ab initio methods
Stash Welsh (TMCS Project 2016) Convergence of the many-body expansion
Rob Shaw (TMCS Project 2016) Diffusion Monte Carlo calculations on systems of coupled Drude oscillators
Luke Hazell (UG 2015/16) Diffusion Monte Carlo calculations on Drude oscillator systems
Toby Simpson (UG 2015/16) Batching algorithms for DFT quadrature
James Kelly (UG 2015/16) Application of the hierarchical method [10.1039/B613676A] to graphene
Dr Mainak Sadhukhan (Royal Society Newton International Fellow, 2014–16) Investigations of Drude oscillators interacting through the exact Coulomb potential. Went on to a second PDRA position with Prof Alexander Tkatchenko at the University of Luxembourg.
Dr Martina Stella (PG 2012–16) Quantum embedding for bioinorganic chemistry. Went on to a PDRA with Prof Alessandro De Vita in King’s College London.
Dr Chris Taylor (PG 2010–2015) Embedded many-body methods for solids. Went on to a PDRA position with Prof Graeme Day in Southampton.
Clem Stross (UG 2012/13) Energy transfer in the photosynthetic light harvesting complex LH2. Winner of The Joseph Gerratt Prize (Best Chemical Physics Student) and the AstraZeneca Prize (Best final-year research project in Physical and Theoretical Chemistry). Stayed on for a PhD in the group.
Ben Peck (UG 2012/13) Crystal polymorph energetics through corrected DFT.
Dr Daniel Kats (PDRA 2011–2013) Automatic implementation of local correlation methods, and distinguishable cluster theory. Went on to work with Prof Hans-Joachim Werner, Stuttgart.
Peter Bygrave (PG 2008–2012) Many-body treatment of solids. Went on to a postdoc position with Prof Graeme Day in Southampton.
Greg Bellchambers (PG 2008–2012) Efficient approximate DFT methods for simulation. Went on to a PDRA with Filipp Furche, UC Irvine.
Rob Pennifold (UG 2011/12) Investigation of electronic wavefunctions using quantum information theory. Stayed on to do a PhD with Jeremy Harvey and me.
Emma Tanner (UG 2011/12) Energetics of clathrate hydrates by many-body expansion.
Jeremy Bass (UG 2010/11) Investigation of electronic wavefunctions using quantum information theory.
Sam Palmer (UG 2010/11) Ab initio calculation of a two-body effective potential for water.
Stephen Nolan (PG 2007–2011) The electron correlation problem in crystalline solids.
David Case (PG 2007–2011) New approaches to electron correlation based on the Ornstein-Zernike equation. Went on to do a postdoc with Prof Graeme Day in Southampton.
Dr Darragh O’Neill (PDRA 2008–2010) Ab initio Monte-Carlo simulation of liquids.
Prof Yuki Kurashige (Visitor, 2010) visitor from IMS, Japan, Tensor-factorized amplitudes in coupled-cluster theory.
James Womack (UG 2009/10) Pair correlation theories of electronic structure. Stayed on as a PhD student, and thence to a postdoc with Prof Chris Skylaris in Southampton.
Chris Taylor (UG 2009/10) Nucleation of water clusters using ab initio electronic structure theory. Stayed on as a PhD student.
Dr Christopher Woods (PDRA 2007–2009) Accelerating rational drug design with multi-threaded array processors. Now a Research Software Engineer at Bristol.
Dr Kara Ranaghan (PDRA 2006–2007) Development and application of QM/MM methodology. Now with Prof Adrian Mulholland, Bristol.
Prof Henk Eshuis (PG 2005–2009) Explicitly propagated time-dependent electronic structure theory. Now a Professor at Montclair State University.
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).
Peter Bygrave (UG 2007/8) Many-body treatment of solids (with Neil Allan).
(Joint first prize: Hewlett-Packard prize for final year project presentation.)
Greg Bellchambers (2007/8) Effective solvation models. (Gabriel Balint-Kurti undergraduate prize winner; Joint first prize: Hewlett-Packard prize for final year project presentation.)
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 Fred 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, at 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. Went on to do something indescribably useful.
Andrew May (UG 2001/2) Sparse linear algebra in electronic structure theory
[Second Prize for Final Year UG Project Talk]. Stayed on for a PhD in the group.
Scott Habershon (UG 2000/1, Birmingham) Density matrix functional theory. Returned to the group in Bristol much later on a Leverhulme fellowship.