Alex Thom is a University Lecturer in the University of Cambridge, and a Director of Studies in Physical Natural Sciences at Magdalene College. His research interests are in Theoretical and Computational Chemistry, specializing in method and software development.
Current projects involve the calculation of accurate electronic energies using Monte Carlo techniques, the description of excited states of medium-large molecules using new methodology, and investigation of the electronic structure of molecules using localized orbital techniques.
General
Summer Projects
Positions are available for 8-10 week projects in Summer 2013. If you would like to discuss these, please contact me by email. Some example projects can be found here
External Links:
Novel H 2 activation by a tris[3,5-bis(trifluoromethyl)phenyl] borane frustrated Lewis pair
TJ Herrington, AJW Thom, AJP White, AE Ashley - Dalton Transactions (
2012)
41, 9019
(DOI:
10.1039/c2dt30384a)
Breaking the carbon dimer: The challenges of multiple bond dissociation with full configuration interaction quantum Monte Carlo methods
GH Booth, D Cleland, AJW Thom, A Alavi - Journal of Chemical Physics (
2011)
135, 084104
(DOI:
10.1063/1.3624383)
LOBA: A localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst
AJW Thom, EJ Sundstrom, M Head-Gordon - Physical Chemistry Chemical Physics (
2009)
11, 11297
(DOI:
10.1039/b915364k)
Hartree-Fock solutions as a quasidiabatic basis for nonorthogonal configuration interaction.
AJW Thom, M Head-Gordon - Journal of Chemical Physics (
2009)
131, 124113
(DOI:
10.1063/1.3236841)
Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space
GH Booth, AJW Thom, A Alavi - Journal of Chemical Physics (
2009)
131, 054106
(DOI:
10.1063/1.3193710)
Locating multiple self-consistent field solutions: an approach inspired by metadynamics.
AJW Thom, M Head-Gordon - Physical Review Letters (
2008)
101, 193001
(DOI:
10.1103/PhysRevLett.101.193001)
PHYS 137-Water oxidation by a di-manganese catalyst: The effects of spin and electronic structure
AJW Thom, M Head-Gordon - ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (2008) 236
Electron correlation from path resummations: the double-excitation star.
AJW Thom, GH Booth, A Alavi - Physical Chemistry Chemical Physics (
2008)
10, 652
(DOI:
10.1039/b715773h)
Stochastic perturbation theory: a low-scaling approach to correlated electronic energies.
AJW Thom, A Alavi - Physical Review Letters (
2007)
99, 143001
(DOI:
10.1103/PhysRevLett.99.143001)
