Philipp Marquetand
Publications by Year
Research Areas
Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, Laser-Matter Interactions and Applications, Machine Learning in Materials Science, Photochemistry and Electron Transfer Studies
Most-Cited Works
- → OpenMolcas: From Source Code to Insight(2019)1,102 cited
- → Photoluminescence and Conductivity of Self‐Assembled π–π Stacks of Perylene Bisimide Dyes(2006)587 cited
- → SHARC: ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings(2011)508 cited
- → Nonadiabatic dynamics: The SHARC approach(2018)471 cited
- → The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry(2023)302 cited
- → wACSF—Weighted atom-centered symmetry functions as descriptors in machine learning potentials(2018)291 cited
- → Efficient and Flexible Computation of Many-Electron Wave Function Overlaps(2016)213 cited
- → Combining SchNet and SHARC: The SchNarc Machine Learning Approach for Excited-State Dynamics(2020)203 cited
- → The origin of efficient triplet state population in sulfur-substituted nucleobases(2016)199 cited
- → On the geometry dependence of molecular dimer spectra with an application to aggregates of perylene bisimide(2006)170 cited