17 citations · 17 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2012
A multi-scale code for flexible hybrid simulations
L. Leukkunen, T. Verho, O. Lopez-Acevedo
Multi-scale computer simulations combine the computationally efficient classical algorithms with more expensive but also more accurate ab-initio quantum mechanical algorithms. This…
physics.comp-ph2010★ 17 cited
Adsorption structures of phenol on the Si(001)-(2 \times 1) surface calculated using density functional theory
Karen Johnston, Andris Gulans, Tuukka Verho +1
Several dissociated and two non-dissociated adsorption structures of the phenol molecule on the Si(001)-(2 \times 1) surface are studied using density functional theory with variou…