Alexandre Tkatchenko

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

Alexandre Tkatchenko, Matthias Scheffler · Physical Review Letters · 2009 · 6.1K citations · Full text

Engineering, Correction Method, Computational Chemistry +16

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Matthias Rupp, Alexandre Tkatchenko, Klaus‐Robert Müller et al. · Physical Review Letters · 2012 · 2.3K citations · Full text

Engineering, Machine Learning, Computational Chemistry +17

SchNet – A deep learning architecture for molecules and materials

Kristof T. Schütt, Huziel E. Sauceda, Pieter-Jan Kindermans et al. · The Journal of Chemical Physics · 2018 · 2.1K citations · Full text

Reproducibility in density functional theory calculations of solids

Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman et al. · Science · 2016 · 1.6K citations · Full text

Molecular Solid, Engineering, Physics +13

Accurate and Efficient Method for Many-Body van der Waals Interactions

Alexandre Tkatchenko, Robert A. DiStasio, Roberto Car et al. · Physical Review Letters · 2012 · 1.5K citations · Full text

Many-body Vdw Energy, Engineering, Efficient Method +16