Macs in Chemistry

Insanely Great Science

Special Issue on Emerging Architectures in Computational Chemistry

 

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


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