Biography
Jacob is working primarily with Dr Ian Bush on developing methods for long-range solutions to potentials for use in the software packages DL_Poly and CRYSTAL. He recently started working on the NQIT project with Niel de Beaudrap developing ease-of-use tools and new methods for simulating quantum computers.
Prior to working at the Oxford e-Research Centre, he studied at York, working on exploring shock-wave phenomena in the plane-wave DFT code CASTEP, to which he made many contributions including empirical potentials and integrators.
In his spare time, Jacob is working with a group in Chemistry in York on developing a method for predicting products of reagents in chemical reactions.
OeRC
Research Interests
- Molecular Dynamics -Potentials and Integrators
- Quantum Computing
Research Projects
DL_Poly NQIT
