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ACS Applied Materials & Interfaces|March 17, 2026
Atomic-Scale Characterization of Interfacial Water on LaTiO2N(100) SurfaceDeqi Tang, Fabrizio Creazzo, Jakob Praxmair, et al.RSC Sustainability|June 7, 2024
Stability and degradation of (oxy)nitride photocatalysts for solar water splittingValérie Werner, Franky Bedoya Lora, Ziwei Chai, et al.Chemistry (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 LuberPhysical Chemistry Chemical Physics : PCCP|July 30, 2024
Water-air interface revisited by means of path-integral ab initio molecular dynamicsFabrizio Creazzo, Sandra LuberInorganic Chemistry|February 18, 2026
Secondary Coordination Sphere Effects in Macrocycle-Embedded Mononuclear Ru(bda) Water Oxidation CatalystsGourab Das, Daniel A P Friedewald, Deqi Tang, et al.Topics 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 LuberIscience|March 24, 2025
DFT-metadynamics insights on the origin of the oxygen evolution kinetics at the (100)-WSe2 surfaceFabrizio Creazzo, Kevin Sivula, 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 LuberACS Omega|March 24, 2025
V3O7·H2O as a Cathode Material for Aqueous Mg2+/Na+ Hybrid Electrochemical CellsDaniela Söllinger, Julie Lam Chen, Jakub Zalesak, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|August 7, 2024
Machine Learning Interatomic Potentials for Heterogeneous CatalysisDeqi Tang, Rangsiman Ketkaew, Sandra LuberPageof 12