Task-based parallel programming is the future. The University of Bristol Advanced Computing Research Centre wants to be part of that future. It provides advanced computing support to researchers, with a team of research software engineers who work with academics across a range of disciplines to help optimize research software that can be applied in industry.
BerkeleyGW is a Materials Science application for calculating the excited state properties of materials such as band gaps, band structures, absoprtion spectroscopy, photoemission spectroscopy and more. It requires as input the Kohn-Sham orbitals and energies from a DFT code like Quantum ESPRESSO, PARATEC, PARSEC etc. Like such DFT codes, it is heavily dependent on FFTs, Dense Linear algebra and tensor contraction type operations similar in nature to those found in Quantum Chemistry applications.
Many-Fermion Dynamics---nuclear, or MFDn, is a configuration interaction (CI) code for nuclear structure calculations. It is a platform independent Fortran 90 code using a hybrid MPI/ OpenMP* programming model, and is being used on current supercomputers, such as Edison at NERSC, for ab initio calculations of atomic nuclei using realistic nucleon-nucleons and three-nucleon forces.