Dral, Pavlo O.

Quantum chemistry structures and properties of 134 kilo molecules

Ramakrishnan, R., Dral, P. O., Rupp, M., & von Lilienfeld, O. A. (2014) · Scientific Data

Advanced Chemical Physics StudiesComputational Drug Discovery Methods

Cited by 1,966

Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach

Ramakrishnan, R., Dral, P. O., Rupp, M., & von Lilienfeld, O. A. (2015) · Journal of Chemical Theory and Computation

Machine Learning in Materials ScienceAdvanced Chemical Physics Studies

Cited by 911

Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamics

Ullah, A., & Dral, P. O. (2022) · Nature Communications

Spectroscopy and Quantum Chemical StudiesPhotochemistry and Electron Transfer Studies

Cited by 51