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Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms., , , , , , , , , and 1 other author(s). Parallel Comput., (2022)Accurate Sampling with Noisy Forces from Approximate Computing., , , and . Comput., 8 (2): 39 (2020)A submatrix-based method for approximate matrix function evaluation in the quantum chemistry code CP2K., , , and . SC, page 80. IEEE/ACM, (2020)Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics., , , , , and . Int. J. High Perform. Comput. Appl., 37 (5): 530-538 (September 2023)A computation of D(9) using FPGA Supercomputing., , , , , , and . CoRR, (2023)Bringing Massive Parallelism and Hardware Acceleration to Linear Scaling Density Functional Theory Through Targeted Approximations.. University of Paderborn, Germany, (2022)Accurate Sampling with Noisy Forces from Approximate Computing., , , and . CoRR, (2019)Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms., , , , , , , , , and 1 other author(s). CoRR, (2021)