Fuyuki Shimojo - researchr alias

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Viewing Publication 1 - 18 from 18

2024

Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenidesKohei Shimamura, Akihide Koura, Fuyuki Shimojo. cphysics, 294:108920, January 2024. [doi]

2021

Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular DynamicsPankaj 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. ipps 2021: 943-946 [doi]

2020

Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional MaterialsSubodh 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. hpcasia 2020: 1-10 [doi]

2019

2015

Quantum Molecular Dynamics in the Post-Petaflops EraNichols A. Romero, Aiichiro Nakano, Katherine Riley, Fuyuki Shimojo, Rajiv K. Kalia, Priya Vashishta, Paul C. Messina. Computer, 48(11):33-41, 2015. [doi]

2014

Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-DemandKen-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Kohei Shimamura, Fuyuki Shimojo, Manaschai Kunaseth, Paul C. Messina, Nichols A. Romerod. sc 2014: 661-673 [doi]

2013

Large nonadiabatic quantum molecular dynamics simulations on parallel computersFuyuki Shimojo, Satoshi Ohmura, Weiwei Mou, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta. cphysics, 184(1):1-8, 2013. [doi]

2011

Real-space investigation of a transverse wave in a liquid system generated by a molecular-dynamics simulationShuji Munejiri, Fuyuki Shimojo, Kozo Hoshino. cphysics, 182(1):58-61, 2011. [doi]

2009

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

2008

De Novo Ultrascale Atomistic Simulations On High-End Parallel SupercomputersAiichiro 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. ijhpca, 22(1):113-128, 2008. [doi]

2005

Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theoryFuyuki Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta. cphysics, 167(3):151-164, 2005. [doi]

2003

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

2002

2001

2000

A scalable molecular-dynamics algorithm suite for materials simulations: design-space diagram on 1024 Cray T3E processorsFuyuki Shimojo, Timothy Campbell, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Shuji Ogata, Kenji Tsuruta. fgcs, 17(3):279-291, 2000. [doi]

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