Följ
Ilian T. Todorov
Ilian T. Todorov
STFC, University of Cambridge, University of Bristol, University of Hull, University of Sofia
Verifierad e-postadress på stfc.ac.uk
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DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism
IT Todorov, W Smith, K Trachenko, MT Dove
Journal of Materials Chemistry 16 (20), 1911-1918, 2006
11132006
The DL poly 2 user manual
W Smith, TR Forester, IT Todorov, M Leslie
CCLRC, Daresbury Laboratory, Daresbury, Warrington WA4 4AD, England 2, 2006
3412006
A short description of DL_POLY
W Smith, IT Todorov
Molecular Simulation 32 (12-13), 935-943, 2006
2182006
DL_POLY_3: the CCP5 national UK code for molecular–dynamics simulations
IT Todorov, W Smith
Philosophical Transactions of the Royal Society of London. Series A …, 2004
1532004
The DL_POLY molecular simulation package
W Smith, TR Forester, IT Todorov
CCLRC. Daresbury Laboratory, Daresbury, Warrington, England, 1999
1171999
The nature of high-energy radiation damage in iron
E Zarkadoula, SL Daraszewicz, DM Duffy, MA Seaton, IT Todorov, ...
Journal of Physics: Condensed Matter 25 (12), 125402, 2013
1082013
The DL POLY Classic user manual
W Smith, TR Forester, IT Todorov
STFC, STFC Daresbury Laboratory, Daresbury, Warrington, Cheshire, WA4 4AD …, 2012
962012
Four simple recommendations to encourage best practices in research software
RC Jiménez, M Kuzak, M Alhamdoosh, M Barker, B Batut, M Borg, ...
F1000Research 6, 2017
932017
Atomistic simulations of resistance to amorphization by radiation damage
K Trachenko, MT Dove, E Artacho, IT Todorov, W Smith
Physical Review B 73 (17), 174207, 2006
902006
The DL POLY 4 user manual
IT Todorov, W Smith, UK Cheshire
STFC, STFC Daresbury Laboratory, Daresbury, Warrington, Cheshire, WA4 4AD …, 2011
782011
Advanced potential energy surfaces for molecular simulation
A Albaugh, HA Boateng, RT Bradshaw, ON Demerdash, J Dziedzic, ...
The Journal of Physical Chemistry B 120 (37), 9811-9832, 2016
762016
Radiation damage effects and percolation theory
K Trachenko, MT Dove, T Geisler, I Todorov, B Smith
Journal of Physics: Condensed Matter 16 (27), S2623, 2004
652004
Simulation of mineral solid solutions at zero and high pressure using lattice statics, lattice dynamics and Monte Carlo methods
IT Todorov, NL Allan, MY Lavrentiev, CL Freeman, CE Mohn, JA Purton
Journal of Physics: Condensed Matter 16 (27), S2751, 2004
632004
Electronic effects in high-energy radiation damage in iron
E Zarkadoula, SL Daraszewicz, DM Duffy, MA Seaton, IT Todorov, ...
Journal of Physics: Condensed Matter 26 (8), 085401, 2014
572014
A DAFT DL_POLY distributed memory adaptation of the Smoothed Particle Mesh Ewald method
IJ Bush, IT Todorov, W Smith
Computer physics communications 175 (5), 323-329, 2006
542006
Evaporation rates of water from water-in-oil microemulsions
JH Clint, PDI Fletcher, IT Todorov
Physical Chemistry Chemical Physics 1 (21), 5005-5009, 1999
531999
The dl poly 2 user manual, version 2.19
W Smith, TR Forester, IT Todorov
STFC Daresbury Laboratory, Daresbury, Warrington WA4 4AD Cheshire, UK, 2008
512008
Ab initio calculation of phase diagrams of ceramics and mineralsBasis of a presentation given at Materials Discussion No. 3, 26–29 September 2000, University of Cambridge, UK.
NL Allan, GD Barrera, MY Lavrentiev, IT Todorov, JA Purton
Journal of Materials Chemistry 11 (1), 63-68, 2001
512001
Novel potentials for modelling defect formation and oxygen vacancy migration in Gd 2 Ti 2 O 7 and Gd 2 Zr 2 O 7 pyrochlores
DSD Gunn, NL Allan, H Foxhall, JH Harding, JA Purton, W Smith, ...
Journal of Materials Chemistry 22 (11), 4675-4680, 2012
432012
Free energy of solid solutions and phase diagrams via quasiharmonic lattice dynamics
NL Allan, GD Barrera, RM Fracchia, MY Lavrentiev, MB Taylor, IT Todorov, ...
Physical Review B 63 (9), 094203, 2001
432001
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Artiklar 1–20