544 citations · 1.7k across the 20 of their papers we have counts for
Showing 2014Show all
2 papers · 1 filter
cond-mat.mtrl-sci2014★ 43 cited
Minima Hopping Guided Path Search: An Efficient Method for Finding Complex Chemical Reaction Pathways
Bastian Schaefer, Stephan Mohr, Maximilian Amsler +1
The Minima Hopping global optimization method uses physically realizable molecular dynamics moves in combination with an energy feedback that guarantees the escape from any potenti…
cond-mat.mtrl-sci2014★ 161 cited
Daubechies Wavelets for Linear Scaling Density Functional Theory
Stephan Mohr, Laura E. Ratcliff, Paul Boulanger +4
We demonstrate that Daubechies wavelets can be used to construct a minimal set of optimized localized contracted basis functions in which the Kohn-Sham orbitals can be represented…