Fuyuki Shimojo

Publication Activity (10 Years)

Years Active: 2000-2024
Publications (10 Years): 6

Top Topics

Production Processes

Collective Behavior

Protein Folding

Parallel Computers

Top Venues

Comput. Phys. Commun.

J. Comput. Chem.

Publications

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 (2024)
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)
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)
Fuyuki Shimojo, Shogo Fukushima, Hiroyuki Kumazoe, Masaaki Misawa, Satoshi Ohmura, Pankaj Rajak, Kohei Shimamura, Lindsay Bassman, Subodh Tiwari, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
QXMD: An open-source program for nonadiabatic quantum molecular dynamics. SoftwareX 10 (2019)
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) (2019)
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) (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)
Fuyuki Shimojo, Satoshi Ohmura, Weiwei Mou, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
Large nonadiabatic quantum molecular dynamics simulations on parallel computers. Comput. Phys. Commun. 184 (1) (2013)
Shuji Munejiri, Fuyuki Shimojo, Kozo Hoshino
Real-space investigation of a transverse wave in a liquid system generated by a molecular-dynamics simulation. Comput. Phys. Commun. 182 (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)
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)
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)
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) (2005)
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)
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)
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) (2002)
Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, Timothy Campbell, Shuji Ogata, Fuyuki Shimojo, Subhash Saini
Scalable atomistic simulation algorithms for materials research. SC (2001)
Aiichiro Nakano, Martina E. Bachlechner, Rajiv K. Kalia, Elefterios Lidorikis, Priya Vashishta, George Z. Voyiadjis, Timothy Campbell, Shuji Ogata, Fuyuki Shimojo
Multiscale simulation of nanosystems. Comput. Sci. Eng. 3 (4) (2001)
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) (2000)