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Evaluation of the Communication Motif for a Distributed Eigensolver using the SST Network Simulation Tool.

, , , , , , and . PMBS@SC, page 138-148. IEEE, (2020)

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Scalable nuclear density functional theory with Sky3D., , and . Comput. Phys. Commun., (2018)An Out-of-Core Task-based Middleware for Data-Intensive Scientific Computing., , , , and . Handbook on Data Centers, Springer, (2015)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)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)Fast and scalable evaluation of pairwise potentials., , , , and . Comput. Phys. Commun., (2020)Data Analysis for Atomic Shapes in Nuclear Science., , , and . ICCS (2), volume 11537 of Lecture Notes in Computer Science, page 219-233. Springer, (2019)Algorithmic and numerical techniques for atomistic modeling. Purdue University, USA, (2010)On Reducing I/O Overheads in Large-Scale Invariant Subspace Projections., , , , , and . Euro-Par Workshops (1), volume 7155 of Lecture Notes in Computer Science, page 305-314. Springer, (2011)PuReMD-GPU: A reactive molecular dynamics simulation package for GPUs., , and . J. Comput. Phys., (2014)