Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers

Ogata, Shuji ; Lidorikis, Elefterios ; Shimojo, Fuyuki ; Nakano, Aiichiro ; Vashishta, Priya ; Kalia, Rajiv K.

Computer physics communications, 2001-08, Vol.138 (2), p.143-154 [Periódico revisado por pares]

Amsterdam: Elsevier B.V

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