Publications
Ryan Jorn, Revati Kumar, Daniel P. Abraham, Gregory A. Voth, "Atomistic Modeling of the Electrode–Electrolyte Interface in Li-Ion Energy Storage Systems: Electrolyte Structuring," The Journal of Physical Chemistry C, January 2013,  ACS Publications, 2013 10.1021/jp3102282 view
Maris, P., Vary, J.P., "Structure of A=7–8 nuclei with two- plus three-nucleon interactions from chiral effective field theory," Physical Review C, January 2013,  vol. 87, no. 1, The American Physical Society, 2013 , pp. 21-30. 10.1103/PhysRevC.87.014327 view
Takefumi Yamashita, Yuxing Peng, Chris Knight, Gregory A. Voth, "Computationally Efficient Multiconfigurational Reactive Molecular Dynamics," JCTC- Journal of Chemical Theory and Computation, December 2012,  vol. 8, no. 12, American Chemical Society, 2012 , pp. 4863-4875. 10.1021/ct3006437 view
J. Leigh, A. Johnson, L. Renambot, V. Vishwanath, T. Peterka, N. Schwarz, "Visualization of Large-Scale Distributed Data," Data Intensive Distributed Computing: Challenges and Solutions for Large-scale Information Management, December 2012,  IGI Global, 2012 10.4018/978-1-61520-971-2.ch011
Jiang, W., Luo, Y., Margliano, L., Roux, B., "Calculation of Free Energy Landscape in Multi-Dimensions with Hamiltonian-Exchange Umbrella Sampling on Petascale Supercompute," JCTC- Journal of Chemical Theory and Computation, December 2012,  vol. 8, no. 11, American Chemical Society, 2012 , pp. 4672-4680. 10.1021/ct300468g view
J. R. Hammond, J. Dinan, P. Balaji, I. Kabadshow, S. Potluri, V. Tipparaju, "OSPRI: An Optimized One-Sided Communication Runtime for Leadership-Class Machines," The 6th Conference on Partitioned Global Address Space Programming Models, December 2012,  Santa Barbara, California, USA, Julich Forschungszentrum, 2012 , pp. Report ID# FZJ-2012-01028. view
Pieter Maris, H Metin Aktulga, Mark A Caprio, Ümit V Çatalyürek, Esmond G Ng, Dossay Oryspayev, Hugh Potter, Erik Saule, Masha Sosonkina, James P Vary, Chao Yang Zheng Zhou, " Large-scale ab initio configuration interaction calculations for light nuclei ," Journal of Physics: Conference Series, December 2012,  vol. 403, IOP Publishing, 2012 10.1088/1742-6596/403/1/012019 view
Tallent, N., Mellor-Crummey, J., "Using Sampling to Understand Parallel Program Performance,"  Tools for High Performance Computing 2011 , December 2012,  Springer-Verlag Berlin, Heidelberg, 2012 , pp. 13-25. 10.1007/978-3-642-31476-6_2 view
A M Shirokov, A I Mazur, J P Vary I A Mazu, " Oscillator basis, scattering and nuclear structure ," Journal of Physics: Conference Series, December 2012,  vol. 403, IOP Publishing, 2012 10.1088/1742-6596/403/1/012021 view
S. A. Coon, M. I. Avetian, M. K. G. Kruse, U. van Kolck, P. Maris, J. P. Vary, "Convergence properties of ab initio calculations of light nuclei in a harmonic oscillator basis," Physical Review C, November 2012,  vol. 86, no. 5, The American Physical Society, 2012 10.1103/PhysRevC.86.054002 view
Rasquin, M., Martin, J., Jansen, K., "Numerical simulations of a vertical tail of a commercial aircraft with active flow control," APS Physics, November 2012,  vol. 57, no. 17, San Diego, CA., USA, The American Physical Society, 2012 view
Abdilghanie, A., Riley, J., Flores, O., Moser, R, "A novel methodology for simulating low Mach number combustion," 65th Annual Meeting of the APS Division of Fluid Dynamics , November 2012,  San Diego, CA., USA, The American Physical Society, 2012 view
Yuri Alexeev, Ashutosh Mahajan, Sven Leyffer, Graham Fletcher, Dmitri Fedorov, "Heuristic Static Load-Balancing Algorithm Applied to the Fragment Molecular Orbital Method," The International Conference for High Performance Computing, Networking, Storage and Analysis, November 2012,  Salt Lake City, Utah, IEEE Computer Society, 2012 view
Boonthanome Nouanesengsy, Teng-Yok Lee, Kewei Lu, Han-Wei Shen, Tom Peterka, "Parallel Particle Advection and FTLE Computation for Time-Varying Flow Fields," The International Conference for High Performance Computing, Networking, Storage and Analysis, November 2012,  Sale Lake City, UT, IEEE Computer Society, 2012 view
Simpson, E.C., Navratil, P., Roth, R., Tostevin, J.A., "Microscopic two-nucleon overlaps and knockout reactions from 12C," Physical Review C, November 2012,  vol. 86, no. 5, The American Physical Society, 2012 10.1103/PhysRevC.86.054609 view
A. Bhatele, T. Gamblin, K. Isaacs, B. Gunney, M. Schulz, P-T. Bremer, B. Hamann, "Novel views of performance data to analyze large-scale adaptive applications," SC '12 Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis, November 2012,  no. 31, Sale Lake City, UT, IEEE Computer Society, 2012 , pp. 31:1--31:11. view
A. Bhatele, T. Gamblin, S. Langer, P-T. Bremer, E. Draeger, B. Hamann, K. Isaacs, A. Landge, J. Levine, V. Pascucci, M. Schulz, C. Still. , "Mapping applications with collectives over sub-communicators on torus networks," SC '12 Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis , November 2012,  Salt Lake City, Utah, IEEE Computer Society, 2012 , pp. 97:1--97:11. view
M. Garland, M. Kudlur, Y. Zheng, "Designing a unified programming model for heterogeneous machines," SC '12 Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis, November 2012,  no. 67, IEEE Computer Society, 2012 , pp. 67:1--67:11. view
T. Abe, P. Maris, T. Otsuka, N. Shimizu, Y. Utsuno, J. P. Vary , "Benchmarks of the full configuration interaction, Monte Carlo shell model, and no-core full configuration methods," Physical Review C, November 2012,  vol. 86, The American Physical Society, 2012 10.1103/PhysRevC.86.054301 view
L. Grinberg, J. A. Insley, D. Fedosov, V. Morozov, M. E. Papka, G. E. Karniadakis, "Tightly Coupled Atomistic-Continuum Simulations of Brain Blood Flow on Petaflop Supercomputers ," Computing in Science & Engineering, November 2012,  vol. 14, no. 6, IEEE Explore, 2012 , pp. 58-67. 10.1109/MCSE.2012.127 view

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