Support for CCP9 is provided by members of the Scientific Computation Department at STFC’s Daresbury Laboratory under the joint EPSRC/STFC SLA.The current support team consists of :
- Leon Petit (secretary)
- Jerome Jackson
- Barry Searle
- Manuel dos Santos Dias
- Martin Plummer
The Computational Science Centre for Research Communities (CoSeC) supports the advancement of scientific research by developing and strengthening software to analyse and solve increasingly complex problems in multiple disciplines – physics, chemistry, life sciences, engineering, and more.
- Development of theories for correlated electron systems
- Spin susceptibilities in all electron codes
- self-interaction correction
- parallelization of W90 library
- Spin-dependent susceptibilities in QUESTAAL
- Spin-orbit coupling in ONETEP
- parallelization of CPKS equations in CRYSTAL
Materials Science collaborations
- THz switching (Sheffield)
- rare earth under pressure (India)
- dielectric function (Rennes)
- magnons (Juelich)
Verification and Validation
- Generation of benchmark all-electron calculations for oxides.
- Assessment of the accuracy of LMF all-electron calculations.
- QUESTAAL/CASTEP verification of DMFT
Administrative and Networking Support
Support for writing the CCP9 proposals (statement of need, networking grant, CCP9 renewal proposal including the flagship). Organizing CCP9 community meetings and conferences
Psi-k Project and Highlights
Production of Psi-k Highlights, Administration of Psi-k.org. Chairmanship of Psi-k.org and reporting role to the Charity Commission.