Nakano, Aiichiro, Kalia, Rajiv K., Nomura, Ken-ichi, Sharma, Ashish, Vashishta, Priya, Shimojo, Fuyuki, van Duin, Adri C.T., Goddard, William A., Biswas, Rupak, Srivastava, Deepak (2007) A divide-and-conquer/cellular-decomposition framework for million-to-billion atom simulations of chemical reactions. Computational Materials Science, 38 (4). 642-652 doi:10.1016/j.commatsci.2006.04.012

See Also

These are possibly similar items as determined by title/reference text matching only.

	Nomura, Ken-ichi, Kalia, Rajiv K., Nakano, Aiichiro, Vashishta, Priya, van Duin, Adri C. T., Goddard, William A. (2007) Dynamic Transition in the Structure of an Energetic Crystal during Chemical Reactions at Shock Front Prior to Detonation. Physical Review Letters, 99 (14). doi:10.1103/physrevlett.99.148303
	Shimojo, Fuyuki, Hattori, Shinnosuke, Kalia, Rajiv K., Kunaseth, Manaschai, Mou, Weiwei, Nakano, Aiichiro, Nomura, Ken-ichi, Ohmura, Satoshi, Rajak, Pankaj, Shimamura, Kohei, Vashishta, Priya (2014) A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations. The Journal of Chemical Physics, 140 (18). 18pp. doi:10.1063/1.4869342
	Shimojo, Fuyuki, Nakano, Aiichiro, Kalia, Rajiv K., Vashishta, Priya (2009) Enhanced reactivity of nanoenergetic materials: A first-principles molecular dynamics study based on divide-and-conquer density functional theory. Applied Physics Letters, 95 (4). 43114pp. doi:10.1063/1.3189143
	Shekhar, Adarsh, Nomura, Ken-ichi, Kalia, Rajiv K., Nakano, Aiichiro, Vashishta, Priya (2013) Nanobubble Collapse on a Silica Surface in Water: Billion-Atom Reactive Molecular Dynamics Simulations. Physical Review Letters, 111 (18). doi:10.1103/physrevlett.111.184503
	Shimojo, Fuyuki, Kalia, Rajiv K., Nakano, Aiichiro, Vashishta, Priya (2008) Divide-and-conquer density functional theory on hierarchical real-space grids: Parallel implementation and applications. Physical Review B, 77 (8) doi:10.1103/physrevb.77.085103
	Nomura, Ken-ichi, Kalia, Rajiv K., Li, Ying, Nakano, Aiichiro, Rajak, Pankaj, Sheng, Chunyang, Shimamura, Kohei, Shimojo, Fuyuki, Vashishta, Priya (2016) Nanocarbon synthesis by high-temperature oxidation of nanoparticles. Scientific Reports, 6. doi:10.1038/srep24109
	Li, Ying, Kalia, Rajiv K., Misawa, Masaaki, Nakano, Aiichiro, Nomura, Ken-ichi, Shimamura, Kohei, Shimojo, Fuyuki, Vashishta, Priya (2016) Anisotropic mechanoresponse of energetic crystallites: a quantum molecular dynamics study of nano-collision. Nanoscale, 8. 9714-9720 doi:10.1039/c5nr08769d
	Nomura, Ken-ichi, Kalia, Rajiv K., Nakano, Aiichiro, Vashishta, Priya (2007) Reactive nanojets: Nanostructure-enhanced chemical reactions in a defected energetic crystal. Applied Physics Letters, 91 (18). 183109pp. doi:10.1063/1.2804557
	Liu, Jeremy, Mohan, Ankith, Kalia, Rajiv K., Nakano, Aiichiro, Nomura, Ken-ichi, Vashishta, Priya, Yao, Ke-Thia (2020) Boltzmann machine modeling of layered MoS2 synthesis on a quantum annealer. Computational Materials Science, 173. 109429pp. doi:10.1016/j.commatsci.2019.109429
	Chen, Hsiu-Pin, Kalia, Rajiv K., Kaxiras, Efthimios, Lu, Gang, Nakano, Aiichiro, Nomura, Ken-ichi, van Duin, Adri C. T., Vashishta, Priya, Yuan, Zaoshi (2010) Embrittlement of Metal by Solute Segregation-Induced Amorphization. Physical Review Letters, 104 (15). doi:10.1103/physrevlett.104.155502
	Shimojo, Fuyuki, Kalia, Rajiv K., Nakano, Aiichiro, Vashishta, Priya (2005) Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory. Computer Physics Communications, 167. 151-164 doi:10.1016/j.cpc.2005.01.005