Alexandre Tkatchenko
Publications by Year
Research Areas
Machine Learning in Materials Science, Advanced Chemical Physics Studies, Computational Drug Discovery Methods, Quantum, superfluid, helium dynamics, Spectroscopy and Quantum Chemical Studies
Most-Cited Works
- → Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data(2009)6,139 cited
- → Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning(2012)2,340 cited
- → SchNet – A deep learning architecture for molecules and materials(2018)2,101 cited
- → Reproducibility in density functional theory calculations of solids(2016)1,580 cited
- → Accurate and Efficient Method for Many-Body van der Waals Interactions(2012)1,491 cited
- → Quantum-chemical insights from deep tensor neural networks(2017)1,462 cited
- → Machine learning of accurate energy-conserving molecular force fields(2017)1,192 cited
- → Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space(2015)838 cited
- → Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems(2021)776 cited
- → Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 andGWwith numeric atom-centered orbital basis functions(2012)711 cited