Ensemble-based molecular simulation of chemical reactions under vibrational nonequilibrium

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The journal of physical chemistry letters - ISSN 1948-7185-11:2 (2020) p. 401-406

Overcoming old scaling relations and establishing new correlations in catalytic surface chemistry : combined effect of charging and doping

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The journal of physical chemistry: C : nanomaterials and interfaces - ISSN 1932-7447-123:10 (2019) p. 6141-6147

Modelling molecular adsorption on charged or polarized surfaces : a critical flaw in common approaches

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Physical chemistry, chemical physics - ISSN 1463-9076-20:13 (2018) p. 8456-8459

Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations

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Chemical science - ISSN 2041-6520-7:8 (2016) p. 5280-5286

Merging metadynamics into hyperdynamics : accelerated molecular simulations Reaching time scales from microseconds to seconds

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Journal of chemical theory and computation - ISSN 1549-9618-11:10 (2015) p. 4545-4554