60 citations · 69 across the 3 of their papers we have counts for
Showing 2004 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2004
Multiscale simulations in simple metals: a density-functional based methodology
Nicholas Choly, Gang Lu, Weinan E +1
We present a formalism for coupling a density functional theory-based quantum simulation to a classical simulation for the treatment of simple metallic systems. The formalism is ap…
cond-mat.mtrl-sci2004★ 60 cited
An Overview of Multiscale Simulations of Materials
Gang Lu, Efthimios Kaxiras
Multiscale modeling of material properties has emerged as one of the grand challenges in material science and engineering. We provide a comprehensive, though not exhaustive, overvi…