Fuyuki Shimojo

According to our database, Fuyuki Shimojo authored at least 18 papers between 2000 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenides.

Kohei Shimamura, Akihide Koura, Fuyuki Shimojo

Comput. Phys. Commun., January, 2024

2021

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

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

Proceedings of the IEEE International Parallel and Distributed Processing Symposium Workshops, 2021

2020

Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials.

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

Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region, 2020

2019

QXMD: An open-source program for nonadiabatic quantum molecular dynamics.

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

SoftwareX, 2019

Ab initio molecular dynamics study of prebiotic production processes of organic compounds at meteorite impacts on ocean.

Kohei Shimamura, Fuyuki Shimojo, Aiichiro Nakano, Shigenori Tanaka

J. Comput. Chem., 2019

2015

Quantum Molecular Dynamics in the Post-Petaflops Era.

Nichols A. Romero, Aiichiro Nakano, Katherine Riley, Fuyuki Shimojo, Rajiv K. Kalia, Priya Vashishta, Paul C. Messina

Computer, 2015

2014

Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-Demand.

Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Kohei Shimamura, Fuyuki Shimojo, Manaschai Kunaseth, Paul C. Messina, Nichols A. Romero

Proceedings of the International Conference for High Performance Computing, 2014

2013

Large nonadiabatic quantum molecular dynamics simulations on parallel computers.

Fuyuki Shimojo, Satoshi Ohmura, Weiwei Mou, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta

Comput. Phys. Commun., 2013

2011

Real-space investigation of a transverse wave in a liquid system generated by a molecular-dynamics simulation.

Shuji Munejiri, Fuyuki Shimojo, Kozo Hoshino

Comput. Phys. Commun., 2011

2010

DNA Sequencing via Quantum Mechanics and Machine Learning

Henry Yuen, Fuyuki Shimojo, Kevin J. Zhang, Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta

CoRR, 2010

2009

A metascalable computing framework for large spatiotemporal-scale atomistic simulations.

Ken-ichi Nomura, Richard Seymour, Weiqiang Wang, Hikmet Dursun, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Fuyuki Shimojo, Lin H. Yang

Proceedings of the 23rd IEEE International Symposium on Parallel and Distributed Processing, 2009

2008

De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers.

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

Int. J. High Perform. Comput. Appl., 2008

2005

Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory.

Fuyuki Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta

Comput. Phys. Commun., 2005

2003

Scalability of a Low-Cost Multi-Teraflop Linux Cluster for High-End Classical Atomistic and Quantum Mechanical Simulations.

Hideaki Kikuchi, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Fuyuki Shimojo, Subhash Saini

Proceedings of the 17th International Parallel and Distributed Processing Symposium (IPDPS 2003), 2003

2002

Scalable atomistic simulation algorithms for materials research.

Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, Timothy Campbell, Shuji Ogata, Fuyuki Shimojo, Subhash Saini

Sci. Program., 2002

Collaborative simulation grid: multiscale quantum-mechanical/classical atomistic simulations on distributed PC clusters in the US and Japan.

Hideaki Kikuchi, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Hiroshi Iyetomi, Shuji Ogata, Takahisa Kouno, Fuyuki Shimojo, Kenji Tsuruta, Subhash Saini

Proceedings of the 2002 ACM/IEEE conference on Supercomputing, 2002

2001

Multiscale simulation of nanosystems.

Aiichiro Nakano, Martina E. Bachlechner, Rajiv K. Kalia, Elefterios Lidorikis, Priya Vashishta, George Z. Voyiadjis, Timothy Campbell, Shuji Ogata, Fuyuki Shimojo

Comput. Sci. Eng., 2001

2000

A scalable molecular-dynamics algorithm suite for materials simulations: design-space diagram on 1024 Cray T3E processors.

Fuyuki Shimojo, Timothy Campbell, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Shuji Ogata, Kenji Tsuruta

Future Gener. Comput. Syst., 2000