19 citations · 32 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2012★ 5 cited
Fast convergence to equilibrium for long-chain polymer melts using a MD/continuum hybrid method
Yasuhiro Senda, Miyuki Fujio, Shuji Shimamura +2
Effective and fast convergence toward an equilibrium state for long-chain polymer melts is realized by a hybrid method coupling molecular dynamics and the elastic continuum. The re…
cond-mat.mtrl-sci2011★ 8 cited
First-principles study for the adsorption of segments of BPA-PC on alpha-Al2O3(0001)
Janne Blomqvist, Petri Salo
We have studied the adsorption of bisphenol-A-polycarbonate (BPA-PC) on the alpha-Al2O3(0001) surface using density-functional theory (DFT) with van der Waals (vdW) corrections. Th…
cond-mat.mtrl-sci2009★ 19 cited
Adsorption of benzene, phenol, propane and carbonic acid molecules on oxidized Al(111) and alpha-Al2O3(0001) surfaces: A first-principles study
Janne Blomqvist, Petri Salo
We present the results of ab initio calculations describing the adsorption of certain small organic molecules on clean and oxidized Al(111) surfaces as well as on the alpha-Al2O3(0…