Publications

11. S. M. Woodley, T. Lazauskas, M. Illingworth, A. C. Carter and A. A. Sokol, What is the best or most relevant global minimum for nanoclusters? Predicting, comparing and recycling cluster structures with WASP@N, Faraday Discuss., 2018.
DOI: 10.1039/C8FD00060C

10. T. Lazauskas, A. A. Sokol, J. Buckeridge, C. R. A. Catlow, S. G. E. T. Escher, M. R. Farrow, D. Mora-Fonz, V. Blum, T. Phaahla, H. Chauke, P. E. Ngoepe and S. M. Woodley, Thermodynamically Accessible Titanium Clusters TiN, N=2-32, PCCP, 2018, 20, 13962-13973.
DOI: 10.1039/C8CP00406D

9. S. G. E. T. Escher, T. Lazauskas, M. A. Zwijnenburg and S. M. Woodley, Synthesis Target Structures for Alkaline Earth Oxide Clusters, Inorganics, 2018, 6, 29.
DOI: 10.3390/inorganics6010029

8. D. Mora-Fonz, T. Lazauskas, S. M. Woodley, S. T. Bromley, C. R. A. Catlow and A. A. Sokol, Development of Interatomic Potentials for Supported Nanoparticles: The Cu/ZnO Case, J. Phys. Chem. C, 2017, 121 (31), 16831–16844.
DOI: 10.1021/acs.jpcc.7b04502

7. D. Mora-Fonz, T. Lazauskas, M. R. Farrow, C. R. A. Catlow, S. M. Woodley and A. A. Sokol, Why Are Polar Surfaces of ZnO Stable?, Chem. Mater., 2017, 29, 5306–5320.
DOI: 10.1021/acs.chemmater.7b01487

6. M. R. Farrow, J. Buckeridge, T. Lazauskas, D. Mora-Fonz, D. O. Scanlon, C. R. A. Catlow, S. M. Woodley and A. A. Sokol, Heterostructures of GaN with SiC and ZnO Enhance Carrier Stability and Separation in Framework Semiconductors, Phys. Status Solidi A, 2017, 214, 1600440 1−7.
DOI: 10.1002/pssa.201600440

5. T. Lazauskas, A. A. Sokol and S. M. Woodley, An Efficient Genetic Algorithm forStructure Prediction at the Nanoscale, Nanoscale, 2017, 9, 3850−3864.
DOI: 10.1039/C6NR09072A

4. S. G. E. T. Escher, T. Lazauskas, M. A. Zwijnenburg and S. M. Woodley, Structure prediction of (BaO)n nanoclusters for n⩽24 using an evolutionary algorithm, Comput. Theor. Chem., 2017, 1107, 74-81.
DOI: 10.1016/j.comptc.2017.01.010

3. X. Gai, T. Lazauskas, R. Smith and S.D. Kenny, Helium bubbles in bcc Fe and their interactions with irradiation, J. Nucl. Mater., 2015, 462, 382-390.
DOI: 10.1016/j.jnucmat.2014.10.027

2. T. Lazauskas, S. D. Kenny and R. Smith, Influence of the prefactor to defect motion in α-Iron during long time scale simulations, J. Phys. Condens. Matter, 2014, 26, 359007.
DOI: 10.1088/0953-8984/26/39/395007

1. T. Lazauskas, S. D. Kenny, R. Smith, G. Nagra, M. Dholakia and M.C. Valsakumar, Simulating radiation damage in a bcc Fe system with embedded yttria nanoparticles, J. Nucl. Mater., 2013, 437 (1–3), 317–325.
DOI: 10.1016/j.jnucmat.2013.02.016