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Fuyuki Shimojo
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2020 – today
- 2024
- [j11]Kohei Shimamura
, Akihide Koura, Fuyuki Shimojo:
Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenides. Comput. Phys. Commun. 294: 108920 (2024) - 2021
- [c7]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
- [c6]Subodh C. Tiwari
Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials. HPC Asia 2020: 1-10
2010 – 2019
- 2019
- [j10]Kohei Shimamura, Fuyuki Shimojo, Aiichiro Nakano, Shigenori Tanaka
Ab initio molecular dynamics study of prebiotic production processes of organic compounds at meteorite impacts on ocean. J. Comput. Chem. 40(2): 349-359 (2019) - [j9]Fuyuki Shimojo, Shogo Fukushima, Hiroyuki Kumazoe, Masaaki Misawa
QXMD: An open-source program for nonadiabatic quantum molecular dynamics. SoftwareX 10: 100307 (2019) - 2015
- [j8]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) - 2014
- [c5]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
- [j7]Fuyuki Shimojo, Satoshi Ohmura
Large nonadiabatic quantum molecular dynamics simulations on parallel computers. Comput. Phys. Commun. 184(1): 1-8 (2013) - 2011
- [j6]Shuji Munejiri
Real-space investigation of a transverse wave in a liquid system generated by a molecular-dynamics simulation. Comput. Phys. Commun. 182(1): 58-61 (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
- [c4]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 - 2008
- [j5]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) - 2005
- [j4]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) - 2003
- [c3]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
- [j3]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) - [c2]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 - 2001
- [j2]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
- [j1]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)
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