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发表论文 108 篇 · 总被引 5333 次 · h-index 26

代表论文

  • Exfoliated Polymeric Carbon Nitride Nanosheets for Photocatalytic Applications (2024 · ACS Applied Nano Materials · 被引 36)
  • Multiscale QM/MM modelling of catalytic systems with ChemShell. (2023 · Physical Chemistry, Chemical Physics - PCCP · 被引 24)
  • The application of QM/MM simulations in heterogeneous catalysis. (2023 · Physical Chemistry, Chemical Physics - PCCP · 被引 21)
  • Roadmap on Advancements of the FHI-aims Software Package (2025 · 被引 19)
  • Fundamental structural and electronic understanding of palladium catalysts on nitride and oxide supports. (2024 · Angewandte Chemie · 被引 19)
  • Roadmap on data-centric materials science (2024 · Modelling and Simulation in Materials Science and Engineering · 被引 18)