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Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following
by
Ásgeirsson, V.
,
Birgisson, B.
,
Bjornsson, R.
,
Becker, U.
,
Neese, F.
,
Riplinger, C.
,
Jónsson, H.
Published in
Journal of Chemical Theory and Computation
(2021)
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Algorithms for Finding Saddle Points and Minimum Energy Paths Using Gaussian Process Regression
by
Koistinen, Olli-Pekka
Published in
Nanosystems: Physics, Chemistry, Mathematics
(2019)
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Doctoral or Postdoctoral Thesis
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Gaussian process
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gaussinen prosessi
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koneoppiminen
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