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Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques.

, , , and . Parallel Comput., 38 (4-5): 245-259 (2012)

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Scalable nuclear density functional theory with Sky3D., , and . Comput. Phys. Commun., (2018)High Performance Evaluation of Helmholtz Potentials Using the Multi-Level Fast Multipole Algorithm., , , and . IEEE Trans. Parallel Distributed Syst., 33 (12): 3651-3666 (2022)An Out-of-Core Task-based Middleware for Data-Intensive Scientific Computing., , , , and . Handbook on Data Centers, Springer, (2015)End-to-End Differentiable Reactive Molecular Dynamics Simulations Using JAX., , , , , and . ISC, volume 13948 of Lecture Notes in Computer Science, page 202-219. Springer, (2023)Exploring Task Parallelism for the Multilevel Fast Multipole Algorithm., , , , and . HiPC, page 41-50. IEEE, (2020)A Portable Sparse Solver Framework for Large Matrices on Heterogeneous Architectures., , , and . HIPC, page 145-155. IEEE, (2022)A High Performance Block Eigensolver for Nuclear Configuration Interaction Calculations., , , , , , , , and . IEEE Trans. Parallel Distributed Syst., 28 (6): 1550-1563 (2017)Fast and scalable evaluation of pairwise potentials., , , , and . Comput. Phys. Commun., (2020)Accelerating Nuclear Configuration Interaction Calculations through a Preconditioned Block Iterative Eigensolver., , , , , and . CoRR, (2016)Exploring the future of out-of-core computing with compute-local non-volatile memory., , , , , , , , and . Sci. Program., 22 (2): 125-139 (2014)