The 32-month position forms part of the PAX-HPC (Particles At eXascale on High Performance Computers) project funded under the UK’s ExCALIBUR initiative, which aims to research and develop software to meet the needs of the exascale era. The role will involve substantial research and development work in ChemShell, including implementation of advanced QM/MM approaches, underlying workflow improvements such as GPU-aware execution, and improved interoperability with leading QM codes for materials science, all working in close collaboration with our PAX-HPC partners. A second strand of work will target exascale I/O, to be showcased in several leading materials science packages.
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Closing date for applications: Monday 7 March 2022