Publications
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A1 Articles in progress (intern)
Dynamic Evolution and Stability of Ketenes in MAPO-18 (M = Si or Mg): Molecular Insights into the Reaction Mechanism for CO2-to-Hydrocarbons , , Chinese Journal of Catalysis , In revision , 2026 , IF: 15.7
Recent A1 Articles Published online
Challenges and Best Practices in Modeling Anisotropic Stresses in Soft Polymorphic Materials , , ACS Physical Chemistry Au , Published online , 2026 , IF: 4.3 , 75/185 [Q2] , [+]
Most recent A1 Publications
2026
Understanding the entanglement between diffusion and reaction by probing the mobility of ketene in chabazites , , Journal of Catalysis , 453, 116546 , 2026 , IF: 6.5 , 20/142 [Q1]
Crystallographic control of hydrogen ingress in bcc-iron: Insights from ab initio simulations , , International Journal of Hydrogen Energy , 201, 152840 , 2026 , IF: 8.3
2025
Best-Practice Reporting for Porous Materials Adsorption Data , , Angewandte Chemie int. Ed. , 64, 44, e202513606 , 2025 , IF: 17 , [+]
Most recent talks
Plenary
Title to be decided , , Porous Materials for a Sustainable Future: A Mediterranean and Middle East Roadmap (Pore2MED) , Ayia Napa, Cyprus , Sun, 08/11/2026 to Wed, 11/11/2026 Keynote
Following molecules in time when traveling through nanoporous catalysts , , ICTAC XX , Delft, The Netherlands , Mon, 06/07/2026 to Fri, 10/07/2026 Invited talk
Title to be decided , , cecam Flagship Workshop - Machine learned interatomic potentials for chemical reactivity , Parijs, France , Mon, 15/06/2026 to Thu, 18/06/2026 Most recent conference posters
Transport Properties, Correlation Times, and Uncertainties in Molecular Dynamics Simulations with the STable AutoCorrelation Integral Estimator Applied to Squalane , , , Amsterdam, The Netherlands , Mon, 05/01/2026 to Fri, 16/01/2026
Modeling the structural reconstruction and phase behaviour of 2D Moiré covalent organic framework superlattices , , MolSim-2026 , Amsterdam, the Netherlands , Mon, 05/01/2026 to Fri, 16/01/2026
MLP-Driven Monte Carlo Exploration of Al/Si Zeolite Configurations , , , Brussel, Belgium , Fri, 12/12/2025
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