The authors describe simulation approaches that seamlessly combine continuum mechanics with atomistic simulations and quantum mechanics. They also discuss computational and visualization issues associated with these simulations on massively parallel computers.
Citation:
Aiichiro Nakano, Martina E. Bachlechner, Rajiv K. Kalia, Elefterios Lidorikis, Priya Vashishta, George Z. Voyiadjis, Timothy J. Campbell, Shuji Ogata, Fuyuki Shimojo, "Multiscale Simulation of Nanosystems," Computing in Science and Engineering, vol. 3, no. 4, pp. 56-66, July/Aug. 2001, doi:10.1109/5992.931904