S. Luber

发表论文 136 篇 · 总被引 3389 次 · h-index 33

代表论文

• Water Structure in the First Layers on TiO2: A Key Factor for Boosting Solar-Driven Water-Splitting Performances. (2024 · Journal of the American Chemical Society · 被引 46)
• Machine Learning Interatomic Potentials for Catalysis. (2024 · Chemistry · 被引 36)
• The Role of Aqueous Solvation on the Intersystem Crossing of Nitrophenols (2024 · Journal of Chemical Theory and Computation · 被引 16)
• Development of Real-Time TDDFT Program with k-Point Sampling and DFT + U in a Gaussian and Plane Waves Framework (2025 · Journal of Chemical Theory and Computation · 被引 11)
• Propagated (fragment) Pipek-Mezey Wannier functions in real-time time-dependent density functional theory. (2024 · Journal of Chemical Physics · 被引 11)
• Grand Canonical Ensemble Approaches in CP2K for Modeling Electrochemistry at Constant Electrode Potentials. (2024 · Journal of Chemical Theory and Computation · 被引 11)