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Ken-ichi Nomura
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2020 – today
- 2024
- [c18]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 - 2023
- [c17]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 - [i4]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
- [j14]Beibei Wang
, Shane Jackson
, Aiichiro Nakano
, Ken-ichi Nomura, Priya Vashishta
, Rajiv K. Kalia, Mark Stevens
:
Neural Network for Principle of Least Action. J. Chem. Inf. Model. 62(14): 3346-3351 (2022) - [i3]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
- [j13]Antonina L. Nazarova
, Liqiu Yang, Kuang Liu, Ankit Mishra, Rajiv K. Kalia, Ken-ichi Nomura, Aiichiro Nakano
, Priya Vashishta
, Pankaj Rajak:
Dielectric Polymer Property Prediction Using Recurrent Neural Networks with Optimizations. J. Chem. Inf. Model. 61(5): 2175-2186 (2021) - [j12]Connor Powers
, Lindsay Bassman
, Thomas Linker
, Ken-ichi Nomura, Sahil Gulania, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
MISTIQS: An open-source software for performing quantum dynamics simulations on quantum computers. SoftwareX 14: 100696 (2021) - [j11]Taufeq Mohammed Razakh, Beibei Wang, Shane Jackson
, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Priya Vashishta
:
PND: Physics-informed neural-network software for molecular dynamics applications. SoftwareX 15: 100789 (2021) - [c16]Pankaj Rajak, Anikeya Aditya, Shogo Fukushima, Rajiv K. Kalia, Thomas Linker, Kuang Liu, Ye Luo
, Aiichiro Nakano, Ken-ichi Nomura, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta:
Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics. IPDPS Workshops 2021: 943-946 - 2020
- [j10]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) - [c15]Subodh C. Tiwari
, Aravind Krishnamoorthy, Pankaj Rajak, Putt Sakdhnagool, Manaschai Kunaseth
, Fuyuki Shimojo
, Shogo Fukushima, Aiichiro Nakano, Ye Luo
, Rajiv K. Kalia, Ken-ichi Nomura, Priya Vashishta:
Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials. HPC Asia 2020: 1-10 - [c14]Pankaj Rajak, Kuang Liu, Aravind Krishnamoorthy, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Subodh C. Tiwari
, Priya Vashishta:
Neural Network Molecular Dynamics at Scale. IPDPS Workshops 2020: 991-994 - [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
- [j9]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) - [j8]Brandon K. Horton, Rajiv K. Kalia, Erick Moen
, Aiichiro Nakano, Ken-ichi Nomura, Michael Qian, Priya Vashishta, Anders Hafreager
:
Game-Engine-Assisted Research platform for Scientific computing (GEARS) in Virtual Reality. SoftwareX 9: 112-116 (2019) - 2018
- [j7]Ken-ichi Nomura
, Yoshinori Horii, Shusuke Kanazawa
, Yasuyuki Kusaka
, Hirobumi Ushijima:
Fabrication of a Textile-Based Wearable Blood Leakage Sensor Using Screen-Offset Printing. Sensors 18(1): 240 (2018) - [c13]Patrick E. Small, Kuang Liu, Subodh Tiwari
, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Priya Vashishta:
Acceleration of Dynamic n-Tuple Computations in Many-Body Molecular Dynamics. HPC Asia 2018: 159-170 - 2015
- [j6]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
- [c12]Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Kohei Shimamura, Fuyuki Shimojo, Manaschai Kunaseth
, Paul C. Messina, Nichols A. Romero:
Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-Demand. SC 2014: 661-673 - 2013
- [c11]Khairi Reda, Aaron Knoll, Ken-ichi Nomura, Michael E. Papka
, Andrew E. Johnson
, Jason Leigh:
Visualizing large-scale atomistic simulations in ultra-resolution immersive environments. LDAV 2013: 59-65 - [c10]Manaschai Kunaseth
, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Priya Vashishta:
A scalable parallel algorithm for dynamic range-limited n-tuple computation in many-body molecular dynamics simulation. SC 2013: 71:1-71:12 - 2012
- [j5]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. J. Supercomput. 62(2): 946-966 (2012) - [c9]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 - [c8]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 - 2011
- [j4]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. J. Supercomput. 57(1): 20-33 (2011) - 2010
- [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
- [c7]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 - [c6]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 - [c5]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 - [c4]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 - [c3]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
- [j3]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) - [j2]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) - [c2]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
- [j1]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) - 2005
- [c1]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
Coauthor Index
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