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ACS Applied Materials & Interfaces|June 26, 2025
Engineering of MoSe2 and WSe2 Monolayers and Heterostructures by DFT-Molecular Dynamics SimulationsFabrizio CreazzoPhysical Chemistry Chemical Physics : PCCP|July 30, 2024
Water-air interface revisited by means of path-integral ab initio molecular dynamicsFabrizio Creazzo, Sandra LuberChemistry (Weinheim an Der Bergstrasse, Germany)|September 6, 2021
Water-Assisted Chemical Route Towards the Oxygen Evolution Reaction at the Hydrated (110) Ruthenium Oxide Surface: Heterogeneous Catalysis via DFT-MD and Metadynamics SimulationsFabrizio Creazzo, Sandra LuberTopics in Catalysis|February 14, 2022
Closer Look at Inverse Electron Demand Diels-Alder and Nucleophilic Addition Reactions on s-Tetrazines Using Enhanced Sampling MethodsRangsiman Ketkaew, Fabrizio Creazzo, Sandra LuberThe Journal of Physical Chemistry Letters|February 16, 2022
Machine Learning-Assisted Discovery of Hidden States in Expanded Free Energy SpaceRangsiman Ketkaew, Fabrizio Creazzo, Sandra LuberIscience|March 24, 2025
DFT-metadynamics insights on the origin of the oxygen evolution kinetics at the (100)-WSe2 surfaceFabrizio Creazzo, Kevin Sivula, Sandra LuberACS Applied Materials & Interfaces|March 17, 2026
Atomic-Scale Characterization of Interfacial Water on LaTiO2N(100) SurfaceDeqi Tang, Fabrizio Creazzo, Jakob Praxmair, et al.The Journal of Chemical Physics|February 3, 2019
DFT-MD of the (110)-Co3O4 cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environmentFabrizio Creazzo, Daria Ruth Galimberti, Simone Pezzotti, et al.Physical Chemistry Chemical Physics : PCCP|July 25, 2017
Ionic diffusion and proton transfer in aqueous solutions of alkali metal saltsGiuseppe Cassone, Fabrizio Creazzo, Paolo V Giaquinta, et al.Physical Chemistry Chemical Physics : PCCP|August 6, 2016
Ab initio molecular dynamics study of an aqueous NaCl solution under an electric fieldGiuseppe Cassone, Fabrizio Creazzo, Paolo V Giaquinta, et al.Pageof 2