Special Issue on Emerging Architectures in Computational Chemistry
30 04 19 - Filed 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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