Welcome to the Homepage of Dr. Philipp Schienbein!
Ruhr-Universität Bochum » Lehrstuhl für Theoretische Chemie II
We develop and apply ab initio and machine learning molecular simulations to “shoot a movie” of atomic and molecular motion in condensed-phase systems, providing detailed insights into molecular processes in a chemical context.
Recent Publications
Mechanism of Fe(II) Chemisorption on Hematite(001) Revealed by Reactive Neural Network Potential Molecular Dynamics
J. Phys. Chem. Lett, 2025
Ion Effects on Terahertz Spectra of Microsolvated Clusters
J. Phys. Chem. Lett, 2024
Data-Efficient Active Learning for Thermodynamic Integration: Acidity Constants of BiVO4 in Water
ChemPhysChem, 2024
Machine learning the electric field response of condensed phase systems using perturbed neural network potentials
Nat. Commun., 2024
Revealing the Molecular Origin of Anisotropy around Chloride Ions in Bulk Water
J. Phys. Chem. Lett, 2024
Solvation Properties of Neutral Gold Species in Supercritical Water Studied By THz Spectroscopy
Angew. Chem. Int. Ed, 2024
Theoretical terahertz spectroscopy of free radical solutes in solution: an EPR spin probe in water
Phys. Chem. Chem. Phys., 2024