This may be of interest Special Issue on Emerging Architectures in Computational Chemistry

Multithreaded parallelization of the energy and analytic gradient in the fragment molecular orbital method

OpenMP in VASP: Threading and SIMD

Field‐programmable gate arrays and quantum Monte Carlo: Power efficient coprocessing for scalable high‐performance computing

Coupled‐cluster singles, doubles and perturbative triples with density fitting approximation for massively parallel heterogeneous platforms

Domain‐specific virtual processors as a portable programming and execution model for parallel computational workloads on modern heterogeneous high‐performance computing architectures