Molecular dynamics studies of liquids using a Beowulf computer

Probert Mij
Contemporary Physics 44 ( 5) 435 -450

1
2003
Constant pressure Langevin dynamics: theory and application

D. Quigley , M.I.J. Probert
Computer Physics Communications 169 ( 1) 322 -325

13
2005
Theoretical studies of implanted muons in organic magnets

R.M. Valladares , M.I.J. Probert , A.J. Fisher
Materials Science and Engineering B-advanced Functional Solid-state Materials 37 247 -250

3
1996
B2 Atomic Disorder in Co2FeXMn1-XSi Heusler Alloys

P.J. Hasnip , C.H. Loach , J.H. Smith , M.I.J. Probert
Journal of the Magnetics Society of Japan 38 ( 2-2) 50 -55

4
2014
Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation

V. Milman , K. Refson , S.J. Clark , C.J. Pickard
Journal of Molecular Structure: THEOCHEM 954 ( 1-3) 22 -35

196
2010
Potential for a novel μSR experiment — the results of an ab initio study

M.I.J. Probert , A.J. Fisher
Chemical Physics Letters 259 ( 3) 271 -275

7
1996
Computer simulations of flux motion in high-temperature superconductors

M.I.J. Probert , A.I.M. Rae
Physica B-condensed Matter 205 ( 2) 180 -182

1995
Improved algorithm for geometry optimisation using damped molecular dynamics

M.I.J. Probert
Journal of Computational Physics 191 ( 1) 130 -146

16
2003
Non-equilibrium electron transport in degenerate nitride heterostructures—dynamic screening effects

D.R. Anderson , M. Babiker , C.R. Bennett , M.I.J. Probert
Physica E-low-dimensional Systems & Nanostructures 17 272 -275

5
2003
The emergence of sequence-dependent structural motifs in stretched, torsionally constrained DNA

Jack W Shepherd , Robert J Greenall , Matt I J Probert , Agnes Noy
Nucleic Acids Research 48 ( 4) 1748 -1763

5
2020
First-principles simulation: ideas, illustrations and the CASTEP code

M D Segall , Philip J D Lindan , M J Probert , C J Pickard
Journal of Physics: Condensed Matter 14 ( 11) 2717 -2744

11,419
2002
Quantum nature of the proton in water-hydroxyl overlayers on metal surfaces

Matthew Probert , Angelos Michaelides , Xinzheng Li , Ali Alavi
Bulletin of the American Physical Society 2011

128
2011
The Effect of Cobalt-Sublattice Disorder on Spin Polarisation in Co2FexMn1−xSi Heusler Alloys

Philip Hasnip , Christian Loach , Joseph Smith , Matthew Probert
Materials 7 ( 3) 1473 -1482

9
2014
Low-temperature metallic liquid hydrogen: an ab-initio path-integral molecular dynamics perspective

Ji Chen , Xin-Zheng Li , Qianfan Zhang , Matthew Probert
APS March Meeting Abstracts 2013 V1. 285 -V1. 285

2013
Quantum nature of the proton in water-hydroxyl overlayers on metal surfaces

Angelos Michaelides , Xinzheng Li , Matthew Probert , Ali Alavi
APS March Meeting Abstracts 2011 V41. 002 -V41. 002

2011
LEED and Ab-Initio Study of the SmSi (111)-3x2 Reconstruction

Christopher Eames , Steve Tear , Matthew Probert ,
APS March Meeting Abstracts N12. 012 -N12. 012

2006
Ab-Initio Studies of Properties of 2D Rare-Earth Silicide Surfaces

Christopher Eames , Steve Tear , Matthew Probert ,
APS March Meeting Abstracts P12. 015 -P12. 015

2006
J. Phys.: Condens. Matter

MD Segall , Philip JD Lindan , MJ Probert , CJ Pickard
J. Phys.: Condens. Matter 14 ( 2717)

35
2002
Materials Studio

SJ Clark , MD Segall , CJ Pickard , PJ Hasnip
CASTEP, version 5

5
2009