Fuyuki Shimojo

20 papers A 6C 1Journal 12Unranked 1

Year	Rank	Type	Title / Venue / Authors
2025	A	`conf`	Multiscale Light-Matter Dynamics in Quantum Materials: From Electrons to Topological Superlattices. SC Taufeq Mohammed Razakh, Thomas Linker, Ye Luo, Nariman Piroozan, Simon John Pennycook, Nalini Kumar, Albert Musaelian, Anders Johansson, Boris Kozinsky, Rajiv K. Kalia, Priya Vashishta, Fuyuki Shimojo, Shinnosuke Hattori, Ken-ichi Nomura, Aiichiro Nakano
2024	J	`jnl`	Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenides. Comput. Phys. Commun. Kohei Shimamura, Akihide Koura, Fuyuki Shimojo
2021	—	`conf`	Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics. IPDPS Workshops 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
2020	C	`conf`	Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials. HPC Asia 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
2019	J	`jnl`	Ab initio molecular dynamics study of prebiotic production processes of organic compounds at meteorite impacts on ocean. J. Comput. Chem. Kohei Shimamura, Fuyuki Shimojo, Aiichiro Nakano, Shigenori Tanaka
2019	J	`jnl`	QXMD: An open-source program for nonadiabatic quantum molecular dynamics. SoftwareX Fuyuki Shimojo, Shogo Fukushima, Hiroyuki Kumazoe, Masaaki Misawa, Satoshi Ohmura, Pankaj Rajak, Kohei Shimamura, Lindsay Bassman Oftelie, Subodh Tiwari, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
2015	J	`jnl`	Quantum Molecular Dynamics in the Post-Petaflops Era. Computer Nichols A. Romero, Aiichiro Nakano, Katherine Riley, Fuyuki Shimojo, Rajiv K. Kalia, Priya Vashishta, Paul C. Messina
2014	A	`conf`	Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-Demand. SC Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Kohei Shimamura, Fuyuki Shimojo, Manaschai Kunaseth, Paul C. Messina, Nichols A. Romero
2013	J	`jnl`	Large nonadiabatic quantum molecular dynamics simulations on parallel computers. Comput. Phys. Commun. Fuyuki Shimojo, Satoshi Ohmura, Weiwei Mou, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
2011	J	`jnl`	Real-space investigation of a transverse wave in a liquid system generated by a molecular-dynamics simulation. Comput. Phys. Commun. Shuji Munejiri, Fuyuki Shimojo, Kozo Hoshino
2010	J	`jnl`	DNA Sequencing via Quantum Mechanics and Machine Learning CoRR Henry Yuen, Fuyuki Shimojo, Kevin J. Zhang, Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
2009	A	`conf`	A metascalable computing framework for large spatiotemporal-scale atomistic simulations. IPDPS Ken-ichi Nomura, Richard Seymour, Weiqiang Wang, Hikmet Dursun, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Fuyuki Shimojo, Lin H. Yang
2008	J	`jnl`	De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers. Int. J. High Perform. Comput. Appl. Aiichiro Nakano, Rajiv K. Kalia, Ken-ichi Nomura, Ashish Sharma, Priya Vashishta, Fuyuki Shimojo, Adri C. T. van Duin, William A. Goddard III, Rupak Biswas, Deepak Srivastava, Lin H. Yang
2005	J	`jnl`	Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory. Comput. Phys. Commun. Fuyuki Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
2003	A	`conf`	Scalability of a Low-Cost Multi-Teraflop Linux Cluster for High-End Classical Atomistic and Quantum Mechanical Simulations. IPDPS Hideaki Kikuchi, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Fuyuki Shimojo, Subhash Saini
2002	A	`conf`	Collaborative simulation grid: multiscale quantum-mechanical/classical atomistic simulations on distributed PC clusters in the US and Japan. SC Hideaki Kikuchi, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Hiroshi Iyetomi, Shuji Ogata, Takahisa Kouno, Fuyuki Shimojo, Kenji Tsuruta, Subhash Saini
2002	J	`jnl`	Scalable atomistic simulation algorithms for materials research. Sci. Program. Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, Timothy Campbell, Shuji Ogata, Fuyuki Shimojo, Subhash Saini
2001	J	`jnl`	Multiscale simulation of nanosystems. Comput. Sci. Eng. Aiichiro Nakano, Martina E. Bachlechner, Rajiv K. Kalia, Elefterios Lidorikis, Priya Vashishta, George Z. Voyiadjis, Timothy Campbell, Shuji Ogata, Fuyuki Shimojo
2001	A	`conf`	Scalable atomistic simulation algorithms for materials research. SC Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, Timothy Campbell, Shuji Ogata, Fuyuki Shimojo, Subhash Saini
2000	J	`jnl`	A scalable molecular-dynamics algorithm suite for materials simulations: design-space diagram on 1024 Cray T3E processors. Future Gener. Comput. Syst. Fuyuki Shimojo, Timothy Campbell, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Shuji Ogata, Kenji Tsuruta