Alex Thom

University Lecturer in Theoretical Chemistry
in the Sector of Theoretical Chemistry
of the Department of Chemistry,
at the University of Cambridge,

Fellow and Director of Studies in Physical Natural Sciences (IA) and Chemistry
at Magdalene College, Cambridge.

This page is no longer my main homepage. For a more up-to-date website see here

Current Research

ab initio methods using Monte Carlo to calculate correlation energies. General electronic structure theory.

Breaking the carbon dimer: The challenges of multiple bond dissociation with full configuration interaction quantum Monte Carlo methods, George H. Booth, Deidre Cleland, Alex J. W. Thom and Ali Alavi, J. Chem. Phys. 135, 084104, (2011). doi:10.1063/1.3624383
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Stochastic Coupled Cluster Theory, Alex J. W. Thom, Phys. Rev. Lett. 105, 263004, (2010). doi:10.1103/PhysRevLett.105.263004
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Hartree-Fock solutions as a quasidiabatic basis for Non-Orthogonal Configuration Interaction, Alex J. W. Thom and Martin Head-Gordon,J. Chem. Phys. 131, 124113, (2009). doi:10.1063/1.3236841
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Fermion Monte Carlo without fixed nodes: A Game of Life, death and annihilation in Slater Determinant space, George H. Booth, Alex J. W. Thom, and Ali Alavi, J. Chem. Phys. 131, 054106, (2009). doi:10.1063/1.3193710
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LOBA: A Localized Orbital Bonding Analysis with Application to a Model Dimanganese Catalyst for Water Oxidation, Alex J. W. Thom, Eric J. Sundstrom, and Martin Head-Gordon, Phys. Chem. Chem. Phys. 11, 11297-11304, (2009). doi:10.1039/b915364k
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Locating multiple SCF solutions: An approach inspired by metadynamics, Alex J. W. Thom, Martin Head-Gordon, Phys. Rev. Lett. 101, 193001, (2008). doi:10.1103/PhysRevLett.101.193001
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Electron correlation from path resummations: the double-excitation star, Alex J. W. Thom, George H. Booth, and Ali Alavi, Phys. Chem. Chem. Phys. 10, 652-657 (2008). doi:10.1039/b715773h
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Stochastic Perturbation Theory: A low-scaling approach to correlated electronic energies, Alex J. W. Thom and Ali Alavi, Phys. Rev. Lett. 99, 143001, (2007). doi:10.1103/PhysRevLett.99.143001
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Path resummations and the Fermion sign problem, Ali Alavi and Alex J. W. Thom, Lect. Notes. Phys. 703, 685-704, (2006). doi:10.1007/3-540-35273-2_19
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A combinatorial approach to the electron correlation problem, Alex J. W. Thom and Ali Alavi, J. Chem. Phys. 123, 204106, (2005). doi:10.1063/1.2114849
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PhD Research

Supervisor: Dr Ali Alavi - Group Home Page

Towards a quantum Monte Carlo approach based on path resummations, (2006). PDF version


Please remove the mangling from the email addresses.

Cambridge University Chemical Laboratory
Lensfield Road
Cambridge CB2 1EW

email: ajwt3 at