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Exploiting hierarchical parallelisms for molecular dynamics simulation on multicore clusters., , , , , , , and . J. Supercomput., 57 (1): 20-33 (2011)A high-throughput multiobjective genetic-algorithm workflow for in situ training of reactive molecular-dynamics force fields., , , , , and . SpringSim (HPS), page 2. ACM, (2016)Parallel History Matching and Associated Forecast at the Center for Interactive Smart Oilfield Technologies., , , , and . PDPTA, page 369-372. CSREA Press, (2005)Info-Bio-Nano Interface: High-Performance Computing & Visualization., , and . HiPC, volume 2552 of Lecture Notes in Computer Science, page 3-8. Springer, (2002)Neural Network Molecular Dynamics at Scale., , , , , , , and . IPDPS Workshops, page 991-994. IEEE, (2020)Performance Characteristics of Hardware Transactional Memory for Molecular Dynamics Application on BlueGene/Q: Toward Efficient Multithreading Strategies for Large-Scale Scientific Applications., , , , , and . IPDPS Workshops, page 1326-1335. IEEE, (2013)Analysis of scalable data-privatization threading algorithms for hybrid MPI/OpenMP parallelization of molecular dynamics., , , , , and . J. Supercomput., 66 (1): 406-430 (2013)Evolutionary multi-objective optimization and Pareto-frontal uncertainty quantification of interatomic forcefields for thermal conductivity simulations., , , , , , and . Comput. Phys. Commun., (2020)Scalable atomistic simulation algorithms for materials research., , , , , , and . Sci. Program., 10 (4): 263-270 (2002)Parallel Lattice Boltzmann Flow Simulation on Emerging Multi-core Platforms., , , , , and . Euro-Par, volume 5168 of Lecture Notes in Computer Science, page 763-777. Springer, (2008)