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Accurate Sampling with Noisy Forces from Approximate Computing., , , and . CoRR, (2019)Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulations., , , , , , and . Journal of Computational Chemistry, 37 (19): 1828-1838 (2016)Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes., , , , , , and . Journal of Computational Chemistry, 40 (5): 712-716 (2019)Nuclear quantum effects induce metallization of dense solid molecular hydrogen., , and . Journal of Computational Chemistry, 39 (5): 262-268 (2018)Efficient Ön-the-Fly" calculation of Raman Spectra from Ab-Initio molecular dynamics: Application to hydrophobic/hydrophilic solutes in bulk water., and . Journal of Computational Chemistry, 36 (29): 2188-2192 (2015)Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots., , and . CoRR, (2017)A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse Matrices., , , , and . PASC, page 7:1-7:11. ACM, (2018)A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse Matrices., , , and . CoRR, (2017)Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition., , , and . Journal of Computational Chemistry, 38 (26): 2276-2282 (2017)