Masha Sosonkina

TL;DR: A discussion of many of the recently implemented features of GAMESS (General Atomic and Molecular Electronic Structure System) and LibCChem (the C++ CPU/GPU library associated with GAMESS) is presented, which include fragmentation methods, hybrid MPI/OpenMP approaches to Hartree-Fock, and resolution of the identity second order perturbation theory.

TL;DR: Results for abinitio no-core shell model calculations in a symmetry-adapted SU(3)-based coupling scheme demonstrate that collective modes in light nuclei emerge from first principles and suggest a pragmatic path forward to accommodate deformation-driven collective features in ab initio analyses when they dominate the nuclear landscape.

TL;DR: In this paper, phase-equivalent transformations were used to adjust off-shell properties of similarity renormalization group evolved chiral effective field theory NN interaction (Idaho N3LO) to fit selected binding energies and spectra of light nuclei in an ab exitu approach.

TL;DR: This work discusses the scaling behavior of a state-of-the-art Configuration Interaction code for nuclear physics on modern multicore computer architectures and compares the performance of the pure MPI version with the hybrid MPI/OpenMP code on Cray XT4 and XT5 platforms.

TL;DR: A wide range of UNEDF science results are showcased to illustrate that close associations among nuclear physicists, mathematicians, and computer scientists can lead to novel physics outcomes built on algorithmic innovations and computational developments.