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The Journal of Chemical Physics|October 10, 2019
Structural and electronic properties of liquid, amorphous, and supercooled liquid phases of In<sub>2</sub>Te<sub>5</sub> from first-principlesDaniele Dragoni, Marco BernasconiThe Journal of Physical Chemistry. B|November 17, 2006
Ab initio simulation of the grafting of phenylacetylene on hydrogenated surfaces of crystalline silicon catalyzed by a Lewis acidFederico Zipoli, Marco BernasconiNanoscale|September 20, 2021
Mechanism of amorphous phase stabilization in ultrathin films of monoatomic phase change materialDaniele Dragoni, Jörg Behler, Marco BernasconiNanoscale Advances|September 22, 2022
A first-principles study of the switching mechanism in GeTe/InSbTe superlatticesChiara Ribaldone, Daniele Dragoni, Marco BernasconiNanomaterials (Basel, Switzerland)|September 28, 2021
High-Throughput Calculations on the Decomposition Reactions of Off-Stoichiometry GeSbTe Alloys for Embedded MemoriesOmar Abou El Kheir, Marco BernasconiPhysical Review Letters|December 21, 2011
Hydrogen oxidation reaction at the Ni/YSZ anode of solid oxide fuel cells from first principlesClotilde S Cucinotta, Marco Bernasconi, Michele ParrinelloThe Journal of Physical Chemistry. B|April 21, 2006
Ab initio molecular dynamics simulation of NO reactivity on the CaO(001) surfaceCristiana Di Valentin, Gianfranco Pacchioni, Marco BernasconiPhysical Chemistry Chemical Physics : PCCP|June 17, 2015
Pyrite in contact with supercritical water: the desolation of steamAndrás Stirling, Tamás Rozgonyi, Matthias Krack, et al.The Journal of Chemical Physics|August 26, 2025
Ab initio study of electromigration in liquid GeAsSe alloys for selector devicesMatteo Cobelli, Dario Baratella, Paolo Fantini, et al.Inorganic Chemistry|February 3, 2016
Prebiotic NH3 Formation: Insights from SimulationsAndrás Stirling, Tamás Rozgonyi, Matthias Krack, et al.Pageof 4