N. A. Romero

activity

20042018

most citedQMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids

290 citations · 423 across the 6 of their papers we have counts for

collaborators

Showing cond-mat.mtrl-sciShow all

2 papers · 1 filter

cond-mat.mtrl-sci2007

Predicting C-H/ $π$ interactions with nonlocal density functional theory

Joe Hooper, Valentino R. Cooper, T. Thonhauser +3

We examine the performance of a recently developed nonlocal density functional in predicting a model noncovalent interaction, the weak bond between an aromatic $π$ system and an al…

cond-mat.mtrl-sci2005★ 20 cited

Ab initio study of semiconducting carbon nanotubes adsorbed on the Si(100) surface: diameter- and registration-dependent atomic configurations and electronic properties

Salvador Barraza-Lopez, Peter M. Albrecht, Nichols A. Romero +1

We present a first-principles study of semiconducting carbon nanotubes adsorbed on the unpassivated Si(100) surface. We have found metallicity for the combined system caused by n-d…

Predicting C-H/π interactions with nonlocal density functional theory

Ab initio study of semiconducting carbon nanotubes adsorbed on the Si(100) surface: diameter- and registration-dependent atomic configurations and electronic properties

Predicting C-H/ $π$ interactions with nonlocal density functional theory