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Extending parallel scalability of LAMMPS and multiscale reactive molecular simulations.

, , , , and . XSEDE, page 37:1-37:7. ACM, (2012)

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Tail aggregation and domain diffusion in ionic liquids., and . J. Phys. Chem. B, 110 (37): 18601--18608 (September 2006)Multiscale Coarse-Graining of Monosaccharides, , and . The Journal of Physical Chemistry B, 111 (39): 11566-11575 (2007)Centroid molecular dynamics: A quantum dynamics method suitable for the parallel computer., , and . Parallel Comput., 26 (7-8): 1025-1041 (2000)Multiscale coarse-graining of ionic liquids., , , and . J. Phys. Chem. B, 110 (8): 3564--3575 (March 2006)New Materials Design., , , , and . International Conference on Computational Science (1), volume 2073 of Lecture Notes in Computer Science, page 1108-1116. Springer, (2001)A Multi-scale Computational Approach for Nanoparticle Growth in Combustion Environments., and . HPCC, volume 3726 of Lecture Notes in Computer Science, page 938-947. Springer, (2005)Extending parallel scalability of LAMMPS and multiscale reactive molecular simulations., , , , and . XSEDE, page 37:1-37:7. ACM, (2012)