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Dr Matt Probert, BSc, PhD (Birmingham), CPhys, MInstP

Contact details

Mail:	Department of Physics University of York Heslington York YO10 5DD U.K.
Tel:	+44 (0)1904 322239
Fax:	+44 (0)1904 322214
E-mail:	matt.probert@york.ac.uk
Room:	P/A021
Site:	http://www-users.york.ac.uk/~mijp1/

Research Group

• Dr. Phil Hasnip
• Mr N. Luke Abraham
• Mr Chris Eames
• Mr Matt Farrow

Recent Publications

C EAMES, MIJ PROBERT AND SP TEAR

Quantitative LEED I-V and ab initio study of the Si(111)-3x2-Sm surface structure and the missing half-order spots in the 3x1 diffraction pattern
Phys. Rev. B 75 205420 (2007) (9 pages)

C EAMES, C BONET, MIJ PROBERT, SP TEAR AND EW PERKINS

STM and ab initio study of holmium nanowires on a Ge(111) surface
Phys. Rev. B 74 193318 (2006) (4 pages)

NL ABRAHAM AND MIJ PROBERT.

A periodic genetic algorithm with real-space representation for crystal structure and polymorph prediction.
Phys. Rev. B 73, 224104 (2006).

AR CARTER, LCD ROMERO, M BABIKER, DL ANDREWS AND MIJ PROBERT.

Orientational effects of twisted light on twisted nematic liquid crystals.
J. Phys. B-At. Mol. Opt. Phys. 39, S523-S528 (2006).

SJ CLARK, MD SEGALL, CJ PICKARD, PJ HASNIP, MJ PROBERT, K REFSON AND MC PAYNE

First principles methods using CASTEP
Z. Kristall. 220 567-570 (2005) (4 pages)

D QUIGLEY AND MIJ PROBERT

Progression of phase behavior for a sequence of model core-softened potentials.
Phys. Rev. E 72, 061202 (2005). [ external link ]

D QUIGLEY AND MIJ PROBERT

Constant pressure Langevin dynamics, theory and application.
Comp. Phys. Comm. 169, 322-325 (2005).

D QUIGLEY AND MIJ PROBERT

Phase behavior of a three-dimensional core-softened model system.
Phys. Rev. E 71, 065701 (2005). [ external link ]

V MILMAN, B WINKLER AND MIJ PROBERT

Stiffness and thermal expansion of ZrB2, an ab initio study.
J. Phys.-Condensed Matter 17, 2233-2241 (2005).

D. QUIGLEY AND M. I. J. PROBERT.

Langevin dynamics in constant pressure extended systems.
J. Chem. Phys. 120, 11432-11441 (2004).

M. I. J. PROBERT.

Molecular dynamics studies of liquids using a Beowulf computer.
Contemporary Phys. 44, 435-450 (2003).

M. I. J. PROBERT.

Improved algorithm for geometry optimisation using damped molecular dynamics.
J. Computational Phys. 191, 130-146 (2003).

D. R. ANDERSON, M. BABIKER, C. R. BENNETT, AND M. I. J. PROBERT.

Non-equilibrium electron transport in degenerate nitride heterostructures - dynamic screening effects.
Physica E-Low-Dimensional Systems & Nanostructures 17, 272-275 (2003).

M. I. J. PROBERT AND M. C. PAYNE.

Improving the convergence of defect calculations in supercells, An ab initio study of the neutral silicon vacancy.
Phys. Rev. B 67, 075204 (2003). [ external link ]

M. D. SEGALL, P. J. D. LINDAN, M. J. PROBERT, C. J. PICKARD, P. J. HASNIP, S. J. CLARK, AND M. C. PAYNE.

First-principles simulation, ideas, illustrations and the castep code.
J. Phys.-Condes. Matter 14, 2717-2744 (2002).

M. I. J. PROBERT.

Comment on 'Checking the influence of numerically induced chaos in the computational study of intramolecular dynamics using trajectory equivalence'.
Chem. Phys. Lett. 354, 529-531 (2002).

M. I. J. PROBERT.

Comment on Algorithm for normal random numbers.
Phys. Rev. E 63, 058701 (2001). [ external link ]