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Uncertainty Quantification in MD Simulations. Part II: Bayesian Inference of Force-Field Parameters.

, , , , , , and . Multiscale Modeling & Simulation, 10 (4): 1460-1492 (2012)

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ULFM-MPI Implementation of a Resilient Task-Based Partial Differential Equations Preconditioner., , , , , , , and . FTXS@HPDC, page 19-26. ACM, (2016)Enhancing ℓ1-minimization estimates of polynomial chaos expansions using basis selection., , and . CoRR, (2014)Quantifying Sampling Noise and Parametric Uncertainty in Atomistic-to-Continuum Simulations Using Surrogate Models., , , , and . Multiscale Model. Simul., 13 (3): 953-976 (2015)Performance Scaling Variability and Energy Analysis for a Resilient ULFM-based PDE Solver., , , , , , , , and . ScalA@SC, page 41-48. IEEE Computer Society, (2016)Partial Differential Equations Preconditioner Resilient to Soft and Hard Faults., , , , , , , and . CLUSTER, page 552-562. IEEE Computer Society, (2015)Uncertainty Quantification in the Presence of Limited Climate Model Data with Discontinuities., , , and . ICDM Workshops, page 241-247. IEEE Computer Society, (2009)The Pitfalls of Provisioning Exascale Networks: A Trace Replay Analysis for Understanding Communication Performance., , , , and . ISC, volume 10876 of Lecture Notes in Computer Science, page 269-288. Springer, (2018)FitSNAP: Atomistic machine learning with LAMMPS., , , , , , , , , and 5 other author(s). J. Open Source Softw., 8 (83): 5118 (March 2023)Uncertainty Quantification in MD Simulations. Part II: Bayesian Inference of Force-Field Parameters., , , , , , and . Multiscale Modeling & Simulation, 10 (4): 1460-1492 (2012)Validation and Uncertainty Assessment of Extreme-Scale HPC Simulation through Bayesian Inference., , , , , and . Euro-Par, volume 8097 of Lecture Notes in Computer Science, page 41-52. Springer, (2013)