Computational Studies On Formation And Properties Of Carbon (2007)
Nanotubes Weiqiao Deng, Weiqiao Deng, Jianwei Che, Xin Xu, Tahir Çagin, William A Goddard
The discovery of lower dimensional forms of Carbon with unique mechanical and electronic properties has generated new possibilities in many areas of technology especially in nanotechnology. Recent...
Computation aided design in molecular nanotechnology (2004)
We use multi-scale simulation strategy to understand, improve and rationally design novel materials with desired properties in molecular nanotechnology. The areas we have studied cover from molecular...
Computation aided design in molecular nanotechnology (2004)
We use multi-scale simulation strategy to understand, improve and rationally design novel materials with desired properties in molecular nanotechnology. The areas we have studied cover from molecular...
Thermal conductivity of diamond and related materials from molecular dynamics simulations (2000)
Che, Jianwei, Çağin, Tahir, Deng, Weiqiao
Based on the Green–Kubo relation from linear response theory, we calculated the thermal current autocorrelation functions from classical molecular dynamics (MD) simulations. We examined the role of...
Thermal conductivity of diamond and related materials from molecular dynamics simulations (2000)
Che, Jianwei, Cagin, Tahir, Deng, Weiqiao
Based on the Green–Kubo relation from linear response theory, we calculated the thermal current autocorrelation functions from classical molecular dynamics (MD) simulations. We examined the role of...