Ken-ichi Nomura

Research Summary

Expertise: Research and development on low-latency high-performance algorithms and software, massively parallel molecular simulation software on peta-to-exascale computing platforms, interactive and immersive visualization tools, software disseminations and outreaches for computational materials science.

Selected Publications

1. "Game-Engine-Assisted Research platform for Scientific computing (GEARS) in Virtual Reality," B. K. Horton, R. K. Kalia, E. Moen A. Nakano, K. Nomura, M. Qian, P. Vashishta, A. Hafreager, SoftwareX, (2018).
2. “Multiobjective genetic training and uncertainty quantification of reactive force fields,” A. Mishra, S. Hong, P. Rajak, C. Sheng, K. Nomura, R. K. Kalia, A. Nakano, and P. Vashishta, npj Computational Materials 4, 42 (2018).
3. "Nanocarbon synthesis by high-temperature oxidation of nanoparticles," K. Nomura, R. K. Kalia, Y. Li, A. Nakano, P. Rajak, C. Sheng, K. Shimamura, F. Shimojo, P. Vashishta Scientific reports. 6, (2016).
4. "An extended-Lagrangian scheme for charge equilibration in reactive molecular dynamics simulations," K. Nomura, P. E. Small, R. K. Kalia, A. Nakano, P. Vashishta, Computer Physics Communications, 192, 91–96 (2015).
5. “A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations,” F. Shimojo, S. Hattori, R. K. Kalia, M. Kunaseth, W. Mou, A. Nakano, K. Nomura, S. Ohmura, P. Rajak, K. Shimamura, and P. Vashishta, Journal of Chemical Physics 140, 18A529 (2014).
6. “Metascalable quantum molecular dynamics simulations of hydrogen-on-demand,” K. Nomura, R. K. Kalia, A. Nakano, P. Vashishta, K. Shimamura, F. Shimojo, M. Kunaseth, P. C. Messina, and N. A. Romero, Proceedings of Supercomputing, SC14 (ACM/IEEE, 2014).
7. ”Nanobubble collapse on a silica surface in water: Billion-atom reactive molecular dynamics simulations,” A. Shekhar, K. Nomura, R. K. Kalia, A. Nakano, P. Vashishta, Physical Review Letters, 111, 184503 (2013).
8. ”DNA sequencing via quantum mechanics and machine learning,” H. Yuen, F. Shimojo, K. J. Zhang, K. Nomura, R. K. Kalia, A. Nakano, and P. Vashishta International Journal of Computational Science 4, 352-370 (2010)
9. “A scalable parallel algorithm for dynamic range-limited n-tuple computation in many-body molecular dynamics simulation,” M. Kunaseth, R. K. Kalia, A. Nakano, K. Nomura, P. Vashishta, Proceedings of Supercomputing, SC13 (ACM/IEEE, 2013).
10. “A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations,” K. Nomura, R. K. Kalia, A. Nakano, and P. Vashishta, Computer Physics Communications, 178, 73-87 (2008).