A divide-and-conquer/cellular-decomposition framework for million-to-billion atom simulations of chemical reactions

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

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