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Finite element approach for density functional theory calculations on locally-refined meshes., , and . J. Comput. Phys., 223 (2): 759-773 (2007)Performance Optimizations of Recursive Electronic Structure Solvers targeting Multi-Core Architectures (LA-UR-20-26665)., , , , , , , , and . CoRR, (2021)Beyond homogeneous decomposition: scaling long-range forces on Massively Parallel Systems., , , , , , , , , and 1 other author(s). SC, ACM, (2009)ExaAM: Metal additive manufacturing simulation at the fidelity of the microstructure., , , , , , , , , and 10 other author(s). Int. J. High Perform. Comput. Appl., 36 (1): 13-39 (2022)A parallel strategy for density functional theory computations on accelerated nodes., , , and . Parallel Comput., (2020)Density functional theory for efficient ab initio molecular dynamics simulations in solution., and . J. Comput. Chem., 23 (6): 662-666 (2002)An OpenMP GPU-offload implementation of a non-equilibrium solidification cellular automata model for additive manufacturing., , , and . Comput. Phys. Commun., (2023)Thermo4PFM: Facilitating Phase-field simulations of alloys with thermodynamic driving forces., , , and . Comput. Phys. Commun., (July 2023)Science at LLNL with IBM Blue Gene/Q., , , , , , , , , and 14 other author(s). IBM J. Res. Dev., 57 (1/2): 11 (2013)Toward real-time modeling of human heart ventricles at cellular resolution: simulation of drug-induced arrhythmias., , , , , , , , , and 5 other author(s). SC, page 2. IEEE/ACM, (2012)