143 citations · 377 across the 8 of their papers we have counts for
Showing 2014Show all
2 papers · 1 filter
physics.comp-ph2014★ 30 cited
Stabilized Quasi-Newton Optimization of Noisy Potential Energy Surfaces
Bastian Schaefer, S. Alireza Ghasemi, Shantanu Roy +1
Optimizations of atomic positions belong to the most commonly performed tasks in electronic structure calculations. Many simulations like global minimum searches or characterizatio…
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…