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physics.comp-ph2021
Efficient discovery of multiple minimum action pathways using Gaussian process
JaeHwan Shim, Juyong Lee, Jaejun Yu
We present a new efficient transition pathway search method based on the least action principle and the Gaussian process regression method. Most pathway search methods developed so…
physics.comp-ph2012★ 2 cited
MOCSA: multiobjective optimization by conformational space annealing
Sangjin Sim, Juyong Lee, Jooyoung Lee
We introduce a novel multiobjective optimization algorithm based on the conformational space annealing (CSA) algorithm, MOCSA. It has three characteristic features: (a) Dominance r…