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Priya Vashishta
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- affiliation: University of Southern California, Los Angeles, USA
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2020 – today
- 2024
- [c30]Taufeq Mohammed Razakh, Thomas Linker, Ye Luo, Rajiv K. Kalia, Ken-ichi Nomura, Priya Vashishta, Aiichiro Nakano:
Accelerating Quantum Light-Matter Dynamics on Graphics Processing Units. IPDPS (Workshops) 2024: 1057-1066 - [i6]Yash Gandhi, Kexin Zheng, Birendra Jha, Ken-ichi Nomura, Aiichiro Nakano, Priya Vashishta, Rajiv K. Kalia:
Generative AI-driven forecasting of oil production. CoRR abs/2409.16482 (2024) - 2023
- [c29]Hikaru Ibayashi, Taufeq Mohammed Razakh, Liqiu Yang, Thomas Linker, Marco Olguin, Shinnosuke Hattori, Ye Luo, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Priya Vashishta:
Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization. ISC 2023: 223-239 - [i5]Hikaru Ibayashi, Taufeq Mohammed Razakh, Liqiu Yang, Thomas Linker, Marco Olguin, Shinnosuke Hattori, Ye Luo, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Priya Vashishta:
Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization. CoRR abs/2303.08169 (2023) - 2022
- [j36]Beibei Wang
, Shane Jackson
Neural Network for Principle of Least Action. J. Chem. Inf. Model. 62(14): 3346-3351 (2022) - [i4]Kuang Liu, Rajiv K. Kalia, Xinlian Liu, Aiichiro Nakano, Ken-ichi Nomura, Priya Vashishta, Rafael Zamora-Resendiz:
Multiscale Graph Neural Networks for Protein Residue Contact Map Prediction. CoRR abs/2212.02251 (2022) - 2021
- [j35]Antonina L. Nazarova
Dielectric Polymer Property Prediction Using Recurrent Neural Networks with Optimizations. J. Chem. Inf. Model. 61(5): 2175-2186 (2021) - [j34]Connor Powers
MISTIQS: An open-source software for performing quantum dynamics simulations on quantum computers. SoftwareX 14: 100696 (2021) - [j33]Taufeq Mohammed Razakh, Beibei Wang, Shane Jackson
PND: Physics-informed neural-network software for molecular dynamics applications. SoftwareX 15: 100789 (2021) - [c28]Pankaj Rajak, Anikeya Aditya, Shogo Fukushima, Rajiv K. Kalia, Thomas Linker, Kuang Liu, Ye Luo
Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics. IPDPS Workshops 2021: 943-946 - 2020
- [j32]Aravind Krishnamoorthy
Evolutionary multi-objective optimization and Pareto-frontal uncertainty quantification of interatomic forcefields for thermal conductivity simulations. Comput. Phys. Commun. 254: 107337 (2020) - [j31]Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Pankaj Rajak, Priya Vashishta:
RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution. SoftwareX 11: 100389 (2020) - [c27]Subodh C. Tiwari
Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials. HPC Asia 2020: 1-10 - [c26]Pankaj Rajak, Kuang Liu, Aravind Krishnamoorthy, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Subodh C. Tiwari
Neural Network Molecular Dynamics at Scale. IPDPS Workshops 2020: 991-994 - [i3]Pankaj Rajak, Aravind Krishnamoorthy, Ankit Mishra, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
Predictive Synthesis of Quantum Materials by Probabilistic Reinforcement Learning. CoRR abs/2009.06739 (2020) - [i2]Taufeq Mohammed Razakh, Beibei Wang, Shane Jackson, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Priya Vashishta:
Physics-informed Neural-Network Software for Molecular Dynamics Applications. CoRR abs/2011.03490 (2020)
2010 – 2019
- 2019
- [j30]Ying Li, Ken-ichi Nomura, Joseph A. Insley, Vitali A. Morozov, Kalyan Kumaran, Nichols A. Romero, William A. Goddard, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
Scalable Reactive Molecular Dynamics Simulations for Computational Synthesis. Comput. Sci. Eng. 21(5): 64-75 (2019) - [j29]Brandon K. Horton, Rajiv K. Kalia, Erick Moen
Game-Engine-Assisted Research platform for Scientific computing (GEARS) in Virtual Reality. SoftwareX 9: 112-116 (2019) - [j28]Fuyuki Shimojo, Shogo Fukushima, Hiroyuki Kumazoe, Masaaki Misawa
QXMD: An open-source program for nonadiabatic quantum molecular dynamics. SoftwareX 10: 100307 (2019) - 2018
- [c25]Patrick E. Small, Kuang Liu, Subodh Tiwari
Acceleration of Dynamic n-Tuple Computations in Many-Body Molecular Dynamics. HPC Asia 2018: 159-170 - 2017
- [j27]Hye Suk Byun, Mohamed Y. El-Naggar, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
A derivation and scalable implementation of the synchronous parallel kinetic Monte Carlo method for simulating long-time dynamics. Comput. Phys. Commun. 219: 246-254 (2017) - 2016
- [c24]Patrick E. Small, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
Order-Invariant Real Number Summation: Circumventing Accuracy Loss for Multimillion Summands on Multiple Parallel Architectures. IPDPS 2016: 152-160 - [c23]Ho Ching Cheng, Pankaj Rajak, Chunyang Sheng, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
A high-throughput multiobjective genetic-algorithm workflow for in situ training of reactive molecular-dynamics force fields. SpringSim (HPS) 2016: 2 - 2015
- [j26]Nichols A. Romero, Aiichiro Nakano, Katherine Riley, Fuyuki Shimojo, Rajiv K. Kalia, Priya Vashishta, Paul C. Messina:
Quantum Molecular Dynamics in the Post-Petaflops Era. Computer 48(11): 33-41 (2015) - [j25]Ken-ichi Nomura, Patrick E. Small, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
An extended-Lagrangian scheme for charge equilibration in reactive molecular dynamics simulations. Comput. Phys. Commun. 192: 91-96 (2015) - 2014
- [c22]Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Kohei Shimamura, Fuyuki Shimojo, Manaschai Kunaseth
Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-Demand. SC 2014: 661-673 - 2013
- [j24]Fuyuki Shimojo, Satoshi Ohmura
Large nonadiabatic quantum molecular dynamics simulations on parallel computers. Comput. Phys. Commun. 184(1): 1-8 (2013) - [j23]Liu Peng, Guangming Tan, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Dongrui Fan
Scalability study of molecular dynamics simulation on Godson-T many-core architecture. J. Parallel Distributed Comput. 73(11): 1469-1482 (2013) - [j22]Manaschai Kunaseth
Analysis of scalable data-privatization threading algorithms for hybrid MPI/OpenMP parallelization of molecular dynamics. J. Supercomput. 66(1): 406-430 (2013) - [c21]Manaschai Kunaseth
Performance Characteristics of Hardware Transactional Memory for Molecular Dynamics Application on BlueGene/Q: Toward Efficient Multithreading Strategies for Large-Scale Scientific Applications. IPDPS Workshops 2013: 1326-1335 - [c20]Manaschai Kunaseth
A scalable parallel algorithm for dynamic range-limited n-tuple computation in many-body molecular dynamics simulation. SC 2013: 71:1-71:12 - 2012
- [j21]Hikmet Dursun, Manaschai Kunaseth
Hierarchical parallelization and optimization of high-order stencil computations on multicore clusters. J. Supercomput. 62(2): 946-966 (2012) - [c19]Manaschai Kunaseth
Memory-Access Optimization of Parallel Molecular Dynamics Simulation via Dynamic Data Reordering. Euro-Par 2012: 781-792 - [c18]Aaron Knoll, Joseph A. Insley, Michael E. Papka
Molecular Dynamics Simulation of Amorphous SiO2 Fracture. SC Companion 2012: 1569-1571 - 2011
- [j20]Liu Peng, Manaschai Kunaseth
Exploiting hierarchical parallelisms for molecular dynamics simulation on multicore clusters. J. Supercomput. 57(1): 20-33 (2011) - [c17]Liu Peng, Aiichiro Nakano, Guangming Tan, Priya Vashishta, Dongrui Fan
Performance analysis and optimization of molecular dynamics simulation on Godson-T many-core processor. Conf. Computing Frontiers 2011: 32 - 2010
- [c16]Manaschai Kunaseth, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
Performance Modeling, Analysis, and Optimization of Cell-List Based Molecular Dynamics. CSC 2010: 209-215 - [c15]Liu Peng, Guangming Tan, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Dongrui Fan
Preliminary Investigation of Accelerating Molecular Dynamics Simulation on Godson-T Many-Core Processor. Euro-Par Workshops 2010: 349-356 - [i1]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)
2000 – 2009
- 2009
- [j19]Hikmet Dursun, Kevin J. Barker
An MPI Performance Monitoring Interface for Cell Based Compute Nodes. Parallel Process. Lett. 19(4): 535-552 (2009) - [c14]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 - [c13]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 - [c12]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 - [c11]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 - [c10]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 - 2008
- [j18]Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations. Comput. Phys. Commun. 178(2): 73-87 (2008) - [j17]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. Int. J. High Perform. Comput. Appl. 22(1): 113-128 (2008) - [c9]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 - 2007
- [j16]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. Comput. Phys. Commun. 177(1-2): 202-205 (2007) - [j15]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. J. Supercomput. 41(2): 109-117 (2007) - [c8]Bhupesh Bansal, Ümit V. Çatalyürek
Intelligent Optimization of Parallel and Distributed Applications. IPDPS 2007: 1-6 - 2006
- [j14]Cheng Zhang, Bhupesh Bansal, Paulo S. Branicio
Collision-free spatial hash functions for structural analysis of billion-vertex chemical bond networks. Comput. Phys. Commun. 175(5): 339-347 (2006) - [c7]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 - 2005
- [j13]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. Comput. Phys. Commun. 167(3): 151-164 (2005) - [c6]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 - 2004
- [j12]Ashish Sharma, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
Scalable and portable visualization of large atomistic datasets. Comput. Phys. Commun. 163(1): 53-64 (2004) - 2003
- [j11]Ashish Sharma, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
Large multidimensional data visualization for materials science. Comput. Sci. Eng. 5(2): 26-33 (2003) - [j10]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 Teleoperators Virtual Environ. 12(1): 85-95 (2003) - [c5]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 - 2002
- [j9]Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, Timothy Campbell, Shuji Ogata, Fuyuki Shimojo, Subhash Saini:
Scalable atomistic simulation algorithms for materials research. Sci. Program. 10(4): 263-270 (2002) - [c4]Priya Vashishta, Rajiv K. Kalia, Aiichiro Nakano:
Info-Bio-Nano Interface: High-Performance Computing & Visualization. HiPC 2002: 3-8 - [c3]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: 39:1-39:8 - [c2]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 - 2001
- [j8]Aiichiro Nakano, Martina E. Bachlechner, Rajiv K. Kalia, Elefterios Lidorikis
Multiscale simulation of nanosystems. Comput. Sci. Eng. 3(4): 56-66 (2001) - [c1]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 - 2000
- [j7]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 Gener. Comput. Syst. 17(3): 279-291 (2000)
1990 – 1999
- 1999
- [j6]Priya Vashishta, Aiichiro Nakano:
Dynamic Fracture Analysis. Comput. Sci. Eng. 1(5): 20-23 (1999) - [j5]Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta:
Scalable molecular-dynamics, visualization, and data management algorithms for materials simulations. Comput. Sci. Eng. 1(5): 39-47 (1999) - [j4]Priya Vashishta, Rajiv K. Kalia, Aiichiro Nakano:
Large-scale atomistic simulations of dynamic fracture. Comput. Sci. Eng. 1(5): 56-65 (1999) - 1998
- [j3]Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta:
Multilevel Algorithms for Large-scope Molecular Dynamics Simulations of Nanostructures on Parallel Computers. VLSI Design 8(1-4): 123-128 (1998) - 1990
- [j2]Rajiv K. Kalia, Priya Vashishta, Lin H. Yang
Quantum Molecular Dynamics: a New Algorithm for Linear and Nonlinear Electron Transport in Disordered Materials. Int. J. High Perform. Comput. Appl. 4(3): 22-33 (1990)
1980 – 1989
- 1989
- [j1]D. L. Greenwell, Rajiv K. Kalia, J. C. Patterson, Priya Vashishta:
Molecular Dynamics Algorithm on the Connection Machine. Int. J. High Speed Comput. 1(2): 321-328 (1989)
Coauthor Index
[c30] [i6] [c29] [i5] [j36] [i4] [j35] [j34] [j33] [c28] [j32] [j31] [c27] [c26] [i3] [i2] [j30] [j29] [j28] [c25] [j27] [c24] [c23] [j26] [j25] [c22] [j24] [j23] [j22] [c21] [c20] [j21] [c19] [c18] [j20] [c17] [c16] [c15] [i1] [j19] [c14] [c13] [c12] [c11] [c10] [j18] [j17] [c9] [j16] [j15] [j14] [c7] [j13] [c6] [j12] [j11] [j10] [c5] [j9] [c4] [c3] [c2] [j8] [c1] [j7] [j5] [j4] [j3] [j2] [j1]
[c30] [i6] [c29] [i5] [j36] [i4] [j35] [j34] [j33] [c28] [j32] [j31] [c27] [c26] [i3] [i2] [j30] [j29] [j28] [c25] [j27] [c24] [c23] [j26] [j25] [c22] [j24] [j23] [j22] [c21] [c20] [j21] [c19] [c18] [j20] [c17] [c16] [c15] [i1] [j19] [c14] [c13] [c12] [c11] [c10] [j18] [j17] [c9] [j16] [j15] [c8] [j14] [c7] [j13] [c6] [j12] [j11] [j10] [c5] [j9] [c4] [c3] [c2] [j8] [c1] [j7] [j6] [j5] [j4] [j3]
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