Dr Martin Plummer is a computational scientist and theoretical physicist in the Scientific Computing Department (SCD) at STFC Daresbury Laboratory. He has overall responsibility for support of Atomic, molecular and Optical (AMO) Physics within SCD. Since 2006 he has provided EPSRC-funded core support to the Collaborative Computational Project CCPQ (formerly CCP2). His research interests include developing ab initio theoretical and computational methods for electron/positron-atom/molecule scattering, low-energy antihydrogen interactions, multiphoton ionisation of atoms and molecules in laser fields and detailed analysis of variational methods for scattering, with particular interest in the 'R-matrix' method for collisions and the 'generalized' (and complec) Kohn-type variational methods.
Computationally, he has in the past optimised a legacy code for Hylleraas-type integrals in positron scattering, increasing performance by a factor of at least 100, and parallelised a related serial code to scale to 1000s of cores. More recently, he adapted the massively parallel R-matrix 'outer region' code PFARM for use with the electron-molecule package UKRmol(+) and the new (as of 2018) ultracold chemistry code RMAT_REACT, and co-authored a multi-layered parallel framework package for resonance and other collision property studies. He is also developing a double-continuum R-matrix code for electron-atom collisions. Outside of AMO work, as a general computational scientist he has developed, optimised and used codes including CASTEP and DL_POLY on the UK HPC services CSAR, HPCx, HECToR and ARCHER (in collaboration with the CASTEP Developers Group he improved performance of CASTEP by an order of magnitude). He has experience of IBM BlueGene, iDataPlex, vector machines and Xeon-Phi, and has collaborated on supervision of the production of a GPU-enabled version of PFARM for the PRACE International (accelerator) Benchmark Suite.
A selection of links to publications and technical reports may be found on STFC epubs at: