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Results 11-15 of 15 (Search time: 0.007 seconds).
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Issue DateTitleAuthor(s)
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
17-Jan-2023A Catastrophe Theory Based Model for Optimal Control of Chemical Reactions by means of Oriented Electric FieldsBofill i Villà, Josep M.; Quapp, Wolfgang; Moreira, Ibério de Pinho Ribeiro; Ribas Ariño, Jordi; Severi, Marco; Albareda, Guillermo
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.
8-May-2019A model for a driven Frenkel-Kontorova chainQuapp, Wolfgang; Bofill i Villà, Josep M.