| 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 | 1240 | 2006 |
| The DL poly 2 user manual W Smith, TR Forester, IT Todorov, M Leslie CCLRC, Daresbury Laboratory, Daresbury, Warrington WA4 4AD, England 2, 2006 | 353 | 2006 |
| A short description of DL_POLY W Smith, IT Todorov Molecular Simulation 32 (12-13), 935-943, 2006 | 234 | 2006 |
| 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 | 152 | 2004 |
| 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 | 129 | 2017 |
| The DL_POLY molecular simulation package W Smith, TR Forester, IT Todorov CCLRC. Daresbury Laboratory, Daresbury, Warrington, England, 1999 | 121 | 1999 |
| 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 | 118 | 2013 |
| The DL POLY Classic user manual W Smith, TR Forester, IT Todorov STFC, STFC Daresbury Laboratory, Daresbury, Warrington, Cheshire, WA4 4AD …, 2012 | 104 | 2012 |
| 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 | 93 | 2006 |
| FAIR principles for research software (FAIR4RS principles) NP Chue Hong, DS Katz, M Barker, AL Lamprecht, C Martinez, ... Zenodo, 2022 | 90 | 2022 |
| 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 | 85 | 2016 |
| The DL POLY 4 user manual IT Todorov, W Smith, UK Cheshire STFC, STFC Daresbury Laboratory, Daresbury, Warrington, Cheshire, WA4 4AD …, 2011 | 84 | 2011 |
| 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 | 70 | 2004 |
| DL_POLY W Smith, TR Forester, IT Todorov, M Leslie Daresbury Laboratory: Daresbury, 1996 | 70 | 1996 |
| 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 | 68 | 2014 |
| 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 | 64 | 2004 |
| 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 | 62 | 2006 |
| Evaporation rates of water from water-in-oil microemulsions JH Clint, PDI Fletcher, IT Todorov Physical Chemistry Chemical Physics 1 (21), 5005-5009, 1999 | 58 | 1999 |
| The research software engineer R Baxter, NC Hong, D Gorissen, J Hetherington, I Todorov Digital Research 2012, 2012 | 55 | 2012 |
| 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 | 55 | 2008 |
Kai NordlundProfessor of Physics, University of HelsinkiVerified email at helsinki.fi
