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Comparison of efficient techniques for the simulation of dielectric objects in electrolytes., , , , and . J. Comput. Phys., (2015)Distributed Database Kriging for Adaptive Sampling (D2KAS)., , , , , , and . Comput. Phys. Commun., (2015)Machine-learning Kondo physics using variational autoencoders., , , , , , and . CoRR, (2021)Spatial adaptive sampling in multiscale simulation., , , , , , , , , and 2 other author(s). Comput. Phys. Commun., 185 (7): 1857-1864 (2014)Automated discovery of a robust interatomic potential for aluminum., , , , , , , , , and 1 other author(s). CoRR, (2020)Inferring low-dimensional microstructure representations using convolutional neural networks., , and . CoRR, (2016)Solving lattice QCD systems of equations using mixed precision solvers on GPUs., , , , and . Comput. Phys. Commun., 181 (9): 1517-1528 (2010)Learning Potential Energy Landscapes using Graph Kernels., , and . CoRR, (2016)Uncertainty-driven dynamics for active learning of interatomic potentials., , , , , , , and . Nat. Comput. Sci., 3 (3): 230-239 (2023)A Case Study in Computational Caching Microservices for HPC., , , , , and . IPDPS Workshops, page 1309-1316. IEEE Computer Society, (2017)