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Info-Bio-Nano Interface: High-Performance Computing & Visualization., , and . HiPC, volume 2552 of Lecture Notes in Computer Science, page 3-8. Springer, (2002)Parallel History Matching and Associated Forecast at the Center for Interactive Smart Oilfield Technologies., , , , and . PDPTA, page 369-372. CSREA Press, (2005)A high-throughput multiobjective genetic-algorithm workflow for in situ training of reactive molecular-dynamics force fields., , , , , and . SpringSim (HPS), page 2. ACM, (2016)Exploiting hierarchical parallelisms for molecular dynamics simulation on multicore clusters., , , , , , , and . J. Supercomput., 57 (1): 20-33 (2011)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)Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory., , , and . Comput. Phys. Commun., 167 (3): 151-164 (2005)A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations., , , and . Comput. Phys. Commun., 178 (2): 73-87 (2008)An extended-Lagrangian scheme for charge equilibration in reactive molecular dynamics simulations., , , , and . Comput. Phys. Commun., (2015)Memory-Access Optimization of Parallel Molecular Dynamics Simulation via Dynamic Data Reordering., , , , , and . Euro-Par, volume 7484 of Lecture Notes in Computer Science, page 781-792. Springer, (2012)