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Accelerating the computation of FLAPW methods on heterogeneous architectures., , , and . Concurr. Comput. Pract. Exp., (2018)Optimizing AIREBO: Navigating the Journey from Complex Legacy Code to High Performance., and . CoRR, (2018)LAMMPS' PPPM Long-Range Solver for the Second Generation Xeon Phi., , , , and . ISC, volume 10266 of Lecture Notes in Computer Science, page 61-78. Springer, (2017)Dynamic SIMD Vector Lane Scheduling., , and . ISC Workshops, volume 9945 of Lecture Notes in Computer Science, page 354-365. (2016)The vectorization of the tersoff multi-body potential: an exercise in performance portability., , and . SC, page 69-81. IEEE Computer Society, (2016)The Tersoff many-body potential: Sustainable performance through vectorization., , and . CoRR, (2017)Accelerating AIREBO: Navigating the Journey from Legacy to High-Performance Code., and . J. Comput. Chem., 40 (14): 1471-1482 (2019)A framework for the vectorization of molecular dynamics kernels.. RWTH Aachen University, Germany, (2020)cuQuantum SDK: A High-Performance Library for Accelerating Quantum Science., , , , , , , , , and 12 other author(s). QCE, page 1050-1061. IEEE, (2023)