517 citations · 952 across the 16 of their papers we have counts for
Showing 2014 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2014★ 10 cited
Bowl breakout, escaping the positive region when searching for saddle points
Andreas Pedersen, Mathieu Luiser
We present a scheme improving the minimum-mode following method for finding first order saddle points by confining the displacements of atoms to the subset of those subject to the…
cond-mat.mtrl-sci2014★ 517 cited
Improved initial guess for minimum energy path calculations
Søren Smidstrup, Andreas Pedersen, Kurt Stokbro +1
A method is presented for generating a good initial guess of a transition path between given initial and final states of a system without evaluation of the energy. An objective fun…