Ken-ichi Nomura

Publication Activity (10 Years)

Years Active: 2005-2024
Publications (10 Years): 17

Top Topics

Scientific Computing

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

IPDPS Workshops

Publications

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)
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 (2023)
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)
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 (2022)
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) (2022)
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) (2021)
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 (2021)
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 (2021)
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)
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 (2020)
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 (2020)
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)
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)
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) (2019)
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 (2019)
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) (2018)
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)
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 (2015)
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)
Manaschai Kunaseth, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Priya Vashishta
-tuple computation in many-body molecular dynamics simulation. SC (2013)
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)
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)
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) (2012)
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)
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) (2011)
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 (2010)
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)
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)
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)
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)
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)
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) (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. Int. J. High Perform. Comput. Appl. 22 (1) (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)
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) (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. PDPTA (2005)