Research Interests
Recent Publications
- The Sign Problem and Population Dynamics in the Full
Configuration Interaction Quantum Monte Carlo Method
J.S. Spencer, N.S. Blunt and W.M.C. Foulkes
Accepted for publication in J. Chem. Phys. (2012)
- Quantum Mechanical Simulations of Electronic Stopping
in Metals
D.R. Mason, C.P. Race, W.M.C. Foulkes, M.W. Finnis,
A.P. Horsfield, and A.P. Sutton
Nucl. Instrum. Meth. Phys. Res. B 269,
1640–1645 (2011)
- The Treatment of Electronic Excitations in Atomstic
Models of Radiation Damage in Metals
C.P. Race, D.R. Mason, M.W. Finnis, W.M.C. Foulkes,
A.P. Horsfield, and A.P. Sutton
Rep. Prog. Phys.
73, 116501 (40pp) (2010)
- Modelling Non-Adiabatic Processes using Correlated
Electron-Ion Dynamics
E.J. McEniry, Yu Wang, D. Dundas, T.N. Todorov,
L. Stella, R. Miranda, A.J. Fisher, A.P. Horsfield,
C.P. Race, D.R. Mason, W.M.C. Foulkes, and A.P.
Sutton
Eur. Phys. J. B
77, 305–329 (2010)
- A Simple Model for Large-Scale Simulations of FCC
Metals with Explicit Treatement of Electrons
D.R. Mason, W.M.C. Foulkes and A.P. Sutton
Phil. Mag. Lett. 90,
51–60 (2010)
- Supercell Size Scaling of Density Functional Theory
Formation Energies of Charged Defects
N.D.M. Hine, K. Frensch, W.M.C. Foulkes, and
M.W. Finnis
Phys. Rev. B 79,
024112 (13pp) (2009)
- How Good is Damped Molecular Dynamics as a Method
to Simulate Radiation Damage in Metals?
J. le Page, D.R. Mason, C.P. Race, and
W.M.C. Foulkes
New. J. Phys.
11, 013004 (15pp) (2009)
- Aiding the Design of Radiation Resistant Materials
with Multiphysics Simulations of Damage Processes
C.P. Race, D.R. Mason, J. le Page, M.W. Finnis,
W.M.C. Foulkes, and A.P. Sutton
Multiphysics Modeling in Materials Design,
volume 1229E of MRS Proceedings,
1229-LL03-06 (6pp) (2009)
- Correlated Electron-Ion Dynamics in Metallic Systems
A.P. Horsfield, M. Finnis, M. Foulkes, J. le Page,
D. Mason, C. Race, A.P. Sutton, D.R. Bowler, A.J. Fisher,
R. Miranda, L. Stella, A.M. Stoneham, D. Dundas,
E. McEniry, T.N. Todorov, and C.G. Sanchez
Computational Materials Science
44(1) 16–20 (2008)
- Finite-Size Errors in Continuum Quantum Monte
Carlo Calculations
N.D. Drummond, R.J. Needs, A. Sorouri, and
W.M.C. Foulkes
Phys. Rev. B
78, 125106 (19pp) (2008)
- The Ehrenfest Approximation for Electrons Coupled
to a Phonon System
J. le Page, D.R. Mason, and W.M.C. Foulkes
J. Phys.: Condens. Matter
20, 125212 (13pp) (2008)
- Localization Lengths over Metal to Band Insulator
Transitions
N.D.M. Hine and W.M.C. Foulkes
J. Phys.: Condens. Matter
19, 506212 (19pp) (2007)
- Electronic Damping of Atomic Dynamics in
Irradiation Damage of Metals
D.R. Mason, J. le Page, C.P. Race, W.M.C. Foulkes,
M.W. Finnis, and A.P. Sutton
J. Phys.: Condens.
Matter 19, 436209 (13pp)
(2007)
- Quantum Monte Carlo Calculations of the Surface
Energy of an Electron Gas
B. Wood, N.D.M. Hine, W.M.C. Foulkes,
and P. Garcia-Gonzalez
Phys. Rev. B
76, 035403 (6pp) (2007)
- Improved Many-Electron Wavefunctions from Plasmon
Normal Modes
B. Wood and W.M.C. Foulkes
J. Phys.: Condens. Matter
18, 2305–2326 (2006)
- Accurate and Efficient Method for the Treatment of
Exchange in a Plane-Wave Basis
A. Sorouri, W.M.C. Foulkes, and N.D.M. Hine
J. Chem. Phys.
124, 064105 (7pp) (2006)
