Efficient sampling of saddle points with the minimum-mode following method

DOI10.1137/100792743MaRDI QIDQ3095077zbMATH OpenOpenAlexWikidataFDO

Authors Andreas Pedersen, Hannes Jónsson, Sigurdur Hafstein

Publication date 28 October 2011

Published in SIAM Journal on Scientific Computing (Search for Journal in Brave)

Full work available at URL https://semanticscholar.org/paper/0921136ec183345caf75e87de9da0d2e5272c0b7

zbMATH Keywords

adaptive kinetic Monte Carloatomistic dynamicsminimum-mode following methodsaddle point determination

Mathematics Subject Classification ID

Monte Carlo methods (65C05) (n)-body problems (70F10)

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Cited in

(8)

• Examining saddle point searches in the context of off-lattice kinetic Monte Carlo
• Active learning for saddle point calculation
• A Valley Following Method
• Overcoming Energetic and Time Scale Barriers Using the Potential Energy Surface
• Minimum energy path calculations with Gaussian process regression
• Optimization-based shrinking dimer method for finding transition states
• Generalized gentlest ascent dynamics methods for high-index saddle points
• A new approach to find a saddle point efficiently based on the Davidson method

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