2.4k citations · 5k across the 28 of their papers we have counts for
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physics.chem-ph2014★ 22 cited
Molecular reordering processes on ice (0001) surfaces from long timescale simulations
Andreas Pedersen, Kjartan T. Wikfeldt, Leendertjan Karssemeijer +2
We report results of long timescale adaptive kinetic Monte Carlo simulations aimed at identifying possible molecular reordering processes on both proton-disordered and ordered (Fle…
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…