Ken-ichi Nomura

发表

A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations

Rajiv K. Kalia, Priya Vashishta, Aiichiro Nakano, 2008, Comput. Phys. Commun..

Hierarchical parallelization and optimization of high-order stencil computations on multicore clusters

Chun Chen, Robert F. Lucas, Jacqueline Chame, 2012, The Journal of Supercomputing.

Physics-informed Neural-Network Software for Molecular Dynamics Applications pdf

Beibei Wang, Rajiv K. Kalia, Ken-ichi Nomura, 2020, SoftwareX.

Parallel history matching and associated forecast at the center for interactive smart oilfield technologies

Rajiv K. Kalia, Priya Vashishta, Aiichiro Nakano, 2006, The Journal of Supercomputing.

A metascalable computing framework for large spatiotemporal-scale atomistic simulations

Weiqiang Wang, Rajiv K. Kalia, Priya Vashishta, 2009, 2009 IEEE International Symposium on Parallel & Distributed Processing.

Molecular Dynamics Simulation of Amorphous SiO2 Fracture

Michael E. Papka, Aaron Knoll, Joseph A. Insley, 2012, 2012 SC Companion: High Performance Computing, Networking Storage and Analysis.

A Multilevel Parallelization Framework for High-Order Stencil Computations

Weiqiang Wang, Liu Peng, Rajiv K. Kalia, 2009, Euro-Par.

A Scalable Hierarchical Parallelization Framework for Molecular Dynamics Simulation on Multicore Clusters

Weiqiang Wang, Liu Peng, Rajiv K. Kalia, 2009, PDPTA.

History Match and Associated Forecast Uncertainty Analysis - Practical Approaches Using Cluster Computing

Rajiv K. Kalia, Priya Vashishta, Aiichiro Nakano, 2005 .

Multiobjective genetic training and uncertainty quantification of reactive force fields

Ankit Mishra, Rajiv K. Kalia, Priya Vashishta, 2018, npj Computational Materials.

Visualizing large-scale atomistic simulations in ultra-resolution immersive environments

Michael E. Papka, Aaron Knoll, Andrew E. Johnson, 2013, 2013 IEEE Symposium on Large-Scale Data Analysis and Visualization (LDAV).

Exploiting hierarchical parallelisms for molecular dynamics simulation on multicore clusters

Weiqiang Wang, Liu Peng, Rajiv K. Kalia, 2011, The Journal of Supercomputing.

Parallel Lattice Boltzmann Flow Simulation on Emerging Multi-core Platforms

Liu Peng, Rajiv K. Kalia, Priya Vashishta, 2008, Euro-Par.

Memory-Access Optimization of Parallel Molecular Dynamics Simulation via Dynamic Data Reordering

Rajiv K. Kalia, Priya Vashishta, Aiichiro Nakano, 2012, Euro-Par.

High-order stencil computations on multicore clusters

Liu Peng, Rajiv K. Kalia, Priya Vashishta, 2009, 2009 IEEE International Symposium on Parallel & Distributed Processing.

Scalable Reactive Molecular Dynamics Simulations for Computational Synthesis

Ying Li, William A. Goddard, Joseph A. Insley, 2019, Computing in Science & Engineering.

EZFF: Python library for multi-objective parameterization and uncertainty quantification of interatomic forcefields for molecular dynamics

Ken-ichi Nomura, Aiichiro Nakano, Priya Vashishta, 2020, 2009.14470.

Fabrication of a Textile-Based Wearable Blood Leakage Sensor Using Screen-Offset Printing

Ken-ichi Nomura, Hirobumi Ushijima, Yasuyuki Kusaka, 2018, Sensors.

Shift-Collapse Acceleration of Generalized Polarizable Reactive Molecular Dynamics for Machine Learning-Assisted Computational Synthesis of Layered Materials

Rajiv K. Kalia, Sungwook Hong, Priya Vashishta, 2018, 2018 IEEE/ACM 9th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (scalA).

An extended-Lagrangian scheme for charge equilibration in reactive molecular dynamics simulations

Rajiv K. Kalia, Priya Vashishta, Aiichiro Nakano, 2015, Comput. Phys. Commun..

Neural Network Molecular Dynamics at Scale

Rajiv K. Kalia, Ken-ichi Nomura, Pankaj Rajak, 2020, 2020 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW).

DNA Sequencing via Quantum Mechanics and Machine Learning pdf

Rajiv K. Kalia, Priya Vashishta, Aiichiro Nakano, 2010, ArXiv.

De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers

Ashish Sharma, Rupak Biswas, Rajiv K. Kalia, 2008, Int. J. High Perform. Comput. Appl..

Divide-Conquer-Recombine: An Algorithmic Pathway toward Metascalability

Rajiv K. Kalia, Kohei Shimamura, Aiichiro Nakano, 2014 .

Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-Demand

Paul Messina, Rajiv K. Kalia, Priya Vashishta, 2014, SC14: International Conference for High Performance Computing, Networking, Storage and Analysis.

A scalable parallel algorithm for dynamic range-limited n-tuple computation in many-body molecular dynamics simulation

Rajiv K. Kalia, Priya Vashishta, Aiichiro Nakano, 2013, 2013 SC - International Conference for High Performance Computing, Networking, Storage and Analysis (SC).

Game-Engine-Assisted Research platform for Scientific computing (GEARS) in Virtual Reality

Erick K. Moen, Rajiv K. Kalia, Priya Vashishta, 2019, SoftwareX.

In-Core Optimization of High-Order Stencil Computations

Weiqiang Wang, Liu Peng, Rajiv K. Kalia, 2009, PDPTA.

RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution

Rajiv K. Kalia, Priya Vashishta, Ken-ichi Nomura, 2020, SoftwareX.

Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials

Putt Sakdhnagool, Shogo Fukushima, Priya Vashishta, 2020, HPC Asia.

Acceleration of Dynamic n-Tuple Computations in Many-Body Molecular Dynamics

Rajiv K. Kalia, Priya Vashishta, Aiichiro Nakano, 2018, HPC Asia.

Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics

Shogo Fukushima, Rajiv K. Kalia, Priya Vashishta, 2021, 2021 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW).