82 citations · 99 across the 2 of their papers we have counts for
3 papers
Improving the conductance of carbon nanotube networks through resonant momentum exchange
Robert A. Bell, Michael C. Payne, Arash A. Mostofi
We present a mechanism to improve the conductivity of carbon nanotube (CNT) networks by improving the conductance between CNTs of different chirality. We argue generally that a wea…
Minimal parameter implicit solvent model for ab initio electronic structure calculations
Jacek Dziedzic, Hatem H. Helal, Chris-Kriton Skylaris +2
We present an implicit solvent model for ab initio electronic structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson eq…
The Static, Dynamic and Electronic Properties of Liquid Gallium Studied by First-Principles Simulation
Janusz M. Holender, Mike J. Gillan, Mike C. Payne +1
First-principles molecular dynamics simulations having a duration of 8 ps have been used to study the static, dynamic and electronic properties of l-Ga at the temperatures 702 K an…