Jacek is a postdoctoral research assistant in the School of Chemistry. He received his MSc degree in Computational Physics from the Gdansk University of Technology (GUT) in Poland in 2002, the title of the thesis being Parallel Computations for Electron Scattering in Xenon. He then started research into hybrid QM/MM methods under the supervision of prof. Rybicki in the Department of Solid State Physics at GUT. His work involved embedding QM-based techniques (NRL tight-binding  in particular) in MD simulations for metallic systems. In the period of 2003-2005 he implemented the NRL-TB formalism in the in-house program nanoMD (due to M. Bialoskorski), giving rise to the nanoTB computer code. He subsequently extended the code, devising and implementing an extension to the Learn-on-the-Fly (LOTF) formalism  to metallic systems, in collaboration with M. Bobrowski and M. Bialoskorski. This extension, termed Divide-and-Conquer LOTF, was then used to study nanoindentation of Cu, earning Jacek a PhD in Solid State Physics from GUT in 2009. Jacek's current work focuses on implementing implicit solvent techniques in the ONETEP  program.
- Kirchhoff F, Mehl M, Papanicolaou N, Papaconstantopoulos D and Khan F 2001, Phys. Rev. B63 195101.
- Csanyi G, Albaret T, Payne M C and De Vita A 2004, Phys. Rev. Lett 93 175503.
- Skylaris C-K, Haynes P D, Mostofi A A, Payne M C 2005, J. Chem. Phys. 122 084119.
Algorithms and computational methods: Cellular automata, Density functional Theory, Evolutionary Algorithms, FFT, Finite differences, Molecular Dynamics, Molecular Mechanics, Multi-physics, Multi-scale, Multigrid solvers, Optimisation, Quantum Chemistry
Lecturer, Chemistry (FNES)
With Chris-Kriton Skylaris (Investigator)