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Results 1-10 of 15 (Search time: 0.031 seconds).
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Issue DateTitleAuthor(s)
2016The variational nature of the gentlest ascent dynamics and the relation of a variational minimum of a curve and the minimum energy pathBofill i Villà, Josep M.; Quapp, Wolfgang
13-Apr-2017Analysis of the acting forces in a theory of catalysis and mechanochemistryQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
Apr-2018Mechanochemistry on the müller-brown surfaceQuapp, Wolfgang; Bofill i Villà, Josep M.
12-Nov-2018Effects of temperature on the shape and symmetry of molecules and solidsCarreras Conill, Abel; Bernuz, Efrem; Marugan, Xavier; Llunell Marí, Miquel; Alemany i Cahner, Pere
21-Aug-2019Interplay between the gentlest ascent dynamics method and conjugate directions to locate transition statesBofill i Villà, Josep M.; Ribas Ariño, Jordi; Valero Montero, Rosendo; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang
5-Dec-2018Towards a theory of mechanochemistry. From the very beginningsQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
6-Feb-2019Newton Trajectories for the tilted Frenkel‐Kontorova modelQuapp, Wolfgang; Bofill i Villà, Josep M.
7-May-2018Towards an efficient transition state and reaction path searching algorithm based on gentlest ascent dynamics and the shrinking dimer methodsAlbareda, Guillermo; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang; Rubio Martínez, Jaime
25-May-2022A generalized Frenkel-Kontorova model for a propagating austenite-martensite phase boundary: revisited numericallyQuapp, Wolfgang; Bofill i Villà, Josep M.
13-Jun-2014Locating saddle points of any index on potential energy surfaces by the generalized gentlest ascent dynamicsQuapp, Wolfgang; Bofill i Villà, Josep M.

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