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Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials., , , , , , , , , and 2 other author(s). HPC Asia, page 1-10. ACM, (2020)Exploiting hierarchical parallelisms for molecular dynamics simulation on multicore clusters., , , , , , , and . J. Supercomput., 57 (1): 20-33 (2011)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)Hierarchical parallelization and optimization of high-order stencil computations on multicore clusters., , , , , , , , , and . J. Supercomput., 62 (2): 946-966 (2012)A Scalable Hierarchical Parallelization Framework for Molecular Dynamics Simulation on Multicore Clusters., , , , , , , and . PDPTA, page 97-103. CSREA Press, (2009)Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics., , , , , , , and . Journal of Chemical Information and Modeling, 57 (4): 778-786 (2017)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)Shift/collapse on neighbor list (SC-NBL): Fast evaluation of dynamic many-body potentials in molecular dynamics simulations., , and . Comput. Phys. Commun., (2019)Performance Modeling, Analysis, and Optimization of Cell-List Based Molecular Dynamics., , , and . CSC, page 209-215. CSREA Press, (2010)