Rajiv K. Kalia

Fuyuki Shimojo, Satoshi Ohmura, Weiwei Mou, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: Large nonadiabatic quantum molecular dynamics simulations on parallel computers. Computer Physics Communications 184(1): 1-8 (2013)

Hikmet Dursun, Manaschai Kunaseth, Ken-ichi Nomura, Jacqueline Chame, Robert F. Lucas, Chun Chen, Mary W. Hall, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: Hierarchical parallelization and optimization of high-order stencil computations on multicore clusters. The Journal of Supercomputing 62(2): 946-966 (2012)

Manaschai Kunaseth, Ken-ichi Nomura, Hikmet Dursun, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: Memory-Access Optimization of Parallel Molecular Dynamics Simulation via Dynamic Data Reordering. Euro-Par 2012: 781-792

Aaron Knoll, Joseph A. Insley, Michael E. Papka, Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: Molecular Dynamics Simulation of Amorphous SiO2 Fracture. SC Companion 2012: 1569-1571

Liu Peng, Manaschai Kunaseth, Hikmet Dursun, Ken-ichi Nomura, Weiqiang Wang, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: Exploiting hierarchical parallelisms for molecular dynamics simulation on multicore clusters. The Journal of Supercomputing 57(1): 20-33 (2011)

Liu Peng, Aiichiro Nakano, Guangming Tan, Priya Vashishta, Dongrui Fan, Hao Zhang, Rajiv K. Kalia, Fenglong Song: Performance analysis and optimization of molecular dynamics simulation on Godson-T many-core processor. Conf. Computing Frontiers 2011: 32

Manaschai Kunaseth, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: Performance Modeling, Analysis, and Optimization of Cell-List Based Molecular Dynamics. CSC 2010: 209-215

Liu Peng, Guangming Tan, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Dongrui Fan, Ninghui Sun: Preliminary Investigation of Accelerating Molecular Dynamics Simulation on Godson-T Many-Core Processor. Euro-Par Workshops 2010: 349-356

Henry Yuen, Fuyuki Shimojo, Kevin J. Zhang, Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: DNA Sequencing via Quantum Mechanics and Machine Learning. CoRR abs/1012.0900 (2010)

Hikmet Dursun, Kevin J. Barker, Darren J. Kerbyson, Scott Pakin, Richard Seymour, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: An MPI Performance Monitoring Interface for Cell Based Compute Nodes. Parallel Processing Letters 19(4): 535-552 (2009)

Hikmet Dursun, Ken-ichi Nomura, Liu Peng, Richard Seymour, Weiqiang Wang, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: A Multilevel Parallelization Framework for High-Order Stencil Computations. Euro-Par 2009: 642-653

Ken-ichi Nomura, Richard Seymour, Weiqiang Wang, Hikmet Dursun, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Fuyuki Shimojo, Lin H. Yang: A metascalable computing framework for large spatiotemporal-scale atomistic simulations. IPDPS 2009: 1-10

Liu Peng, Richard Seymour, Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Alexander Loddoch, Michael Netzband, William R. Volz, Chap C. Wong: High-order stencil computations on multicore clusters. IPDPS 2009: 1-11

Liu Peng, Manaschai Kunaseth, Hikmet Dursun, Ken-ichi Nomura, Weiqiang Wang, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: A Scalable Hierarchical Parallelization Framework for Molecular Dynamics Simulation on Multicore Clusters. PDPTA 2009: 97-103

Hikmet Dursun, Ken-ichi Nomura, Weiqiang Wang, Manaschai Kunaseth, Liu Peng, Richard Seymour, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: In-Core Optimization of High-Order Stencil Computations. PDPTA 2009: 533-538

Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations. Computer Physics Communications 178(2): 73-87 (2008)

Aiichiro Nakano, Rajiv K. Kalia, Ken-ichi Nomura, Ashish Sharma, Priya Vashishta, Fuyuki Shimojo, Adri C. T. van Duin, William A. Goddard, Rupak Biswas, Deepak Srivastava, Lin H. Yang: De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers. IJHPCA 22(1): 113-128 (2008)

Liu Peng, Ken-ichi Nomura, Takehiro Oyakawa, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: Parallel Lattice Boltzmann Flow Simulation on Emerging Multi-core Platforms. Euro-Par 2008: 763-777

Priya Vashishta, Rajiv K. Kalia, Aiichiro Nakano: Multimillion atom simulations of dynamics of wing cracks and nanoscale damage in glass, and hypervelocity impact damage in ceramics. Computer Physics Communications 177(1-2): 202-205 (2007)

Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Jorge L. Landa: Parallel history matching and associated forecast at the center for interactive smart oilfield technologies. The Journal of Supercomputing 41(2): 109-117 (2007)

Cheng Zhang, Bhupesh Bansal, Paulo S. Branicio, Rajiv K. Kalia, Aiichiro Nakano, Ashish Sharma, Priya Vashishta: Collision-free spatial hash functions for structural analysis of billion-vertex chemical bond networks. Computer Physics Communications 175(5): 339-347 (2006)

Hiroshi Takemiya, Yoshio Tanaka, Satoshi Sekiguchi, Shuji Ogata, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: Grid applications - Sustainable adaptive grid supercomputing: multiscale simulation of semiconductor processing across the pacific. SC 2006: 106

Fuyuki Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory. Computer Physics Communications 167(3): 151-164 (2005)

Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Jorge L. Landa: Parallel History Matching and Associated Forecast at the Center for Interactive Smart Oilfield Technologies. PDPTA 2005: 369-372

Ashish Sharma, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta: Scalable and portable visualization of large atomistic datasets. Computer Physics Communications 163(1): 53-64 (2004)

Ashish Sharma, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, Sanjay Kodiyalam, Paul Miller, Wei Zhao, Xinlian Liu, Timothy Campbell, Andy Haas: Immersive and Interactive Exploration of Billion-Atom Systems. Presence 12(1): 85-95 (2003)

Hideaki Kikuchi, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Fuyuki Shimojo, Subhash Saini: Scalability of a Low-Cost Multi-Teraflop Linux Cluster for High-End Classical Atomistic and Quantum Mechanical Simulations. IPDPS 2003: 66

Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, Timothy Campbell, Shuji Ogata, Fuyuki Shimojo, Subhash Saini: Scalable atomistic simulation algorithms for materials research. Scientific Programming 10(4): 263-270 (2002)

Priya Vashishta, Rajiv K. Kalia, Aiichiro Nakano: Info-Bio-Nano Interface: High-Performance Computing & Visualization. HiPC 2002: 3-8

Hideaki Kikuchi, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Hiroshi Iyetomi, Shuji Ogata, Takahisa Kouno, Fuyuki Shimojo, Kenji Tsuruta, Subhash Saini: Collaborative simulation grid: multiscale quantum-mechanical/classical atomistic simulations on distributed PC clusters in the US and Japan. SC 2002: 1-8

Ashish Sharma, Xinlian Liu, Paul Miller, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, Wei Zhao, Timothy Campbell, Andy Haas: Immersive and Interactive Exploration of Billion-Atom Systems. VR 2002: 217-223

Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, Timothy Campbell, Shuji Ogata, Fuyuki Shimojo, Subhash Saini: Scalable atomistic simulation algorithms for materials research. SC 2001: 1

Fuyuki Shimojo, Timothy Campbell, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Shuji Ogata, Kenji Tsuruta: A scalable molecular-dynamics algorithm suite for materials simulations: design-space diagram on 1024 Cray T3E processors. Future Generation Comp. Syst. 17(3): 279-291 (2000)

D. L. Greenwell, Rajiv K. Kalia, J. C. Patterson, Priya Vashishta: Molecular Dynamics Algorithm on the Connection Machine. International Journal of High Speed Computing 1(2): 321-328 (1989)