Andreas Hansen

1. A generally applicable atomic-charge dependent London dispersion correction
   2019/04/19 by Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen +4 · 75 citations
   Chemistry · Physics and Astronomy · #Inorganic Fluorides and Related Compounds #Advanced Chemical Physics Studies #Crystallography and molecular interactions
2. r2SCAN-3c: A “Swiss army knife” composite electronic-structure method
   2021/02/10 by Stefan Grimme, Andreas Hansen, Sebastian Ehlert +2 · 50 citations
   Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Machine Learning in Materials Science #Metal-Organic Frameworks: Synthesis and Applications
3. Extended <scp>tight‐binding</scp> quantum chemistry methods
   2020/08/09 by Christoph Bannwarth, Eike Caldeweyher, Sebastian Ehlert +5 · 34 citations
   Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Thermodynamics and Molecular Structure #Crystallography and molecular interactions
4. Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry**
   2022/09/14 by Markus Bursch, Jan‐Michael Mewes, Andreas Hansen +1 · 18 citations
   Chemistry · Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Reactions and Mechanisms #Molecular Junctions and Nanostructures
5. The resolution of identity and chain of spheres approximations for the LPNO-CCSD singles Fock term
   2012/09/11 by Róbert Izsák, Andreas Hansen, Frank Neese · 5 citations
   Physics and Astronomy · Chemistry · #Advanced Chemical Physics Studies #Mass Spectrometry Techniques and Applications #Analytical Chemistry and Chromatography
6. Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry**
   2022/09/14 by Markus Bursch, Jan‐Michael Mewes, Andreas Hansen +1 · 1 voice · 5 citations
   Physics and Astronomy · Materials Science · Chemical Engineering · #Advanced Chemical Physics Studies #Machine Learning in Materials Science #Catalysis and Oxidation Reactions
7. Reliable prediction of association (free) energies of supramolecular complexes with heavy main group elements – the HS13L benchmark set
   2022/01/01 by Johannes Gorges, Stefan Grimme, Andreas Hansen · 1 voice · 1 citation
   Materials Science · Chemistry · Physics and Astronomy · #Machine Learning in Materials Science #Crystallography and molecular interactions #Advanced Chemical Physics Studies
8. Efficient Computation of the Interaction Energies of Very Large Non-covalently Bound Complexes
   2022/11/30 by Johannes Gorges, Benedikt Bädorf, Andreas Hansen +1 · 1 voice · 1 citation
   Physics and Astronomy · Chemistry · Materials Science · #Advanced Chemical Physics Studies #Crystallography and molecular interactions #Machine Learning in Materials Science
9. Chemical Space Exploration with Artificial “Mindless” Molecules
   2025/09/02 by Thomas Gasevic, Marcel Müller, Jonathan Schöps +4 · 1 voice · 2 citations
   Materials Science · Computer Science · Chemistry · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Crystallography and molecular interactions
10. The Best of Both Worlds: ΔDFT Describes Multiresonance TADF Emitters with Wave-Function Accuracy at Density-Functional Cost
    2025/01/23 by Lukas Kunze, Andreas Hansen, Stefan Grimme +1 · 1 voice · 1 citation
    Engineering · #Organic Light-Emitting Diodes Research #Semiconductor materials and devices #Advancements in Semiconductor Devices and Circuit Design
11. g-xTB: A General-Purpose Extended Tight-Binding Electronic Structure Method For the Elements H to Lr (Z=1–103)
    2025/06/23 by Thomas Froitzheim, Marcel Müller, Andreas Hansen +1 · 1 voice · 2 citations
    Physics and Astronomy · Materials Science · #Advanced Chemical Physics Studies #Surface and Thin Film Phenomena #Electron and X-Ray Spectroscopy Techniques
12. Essential Roles of Cp Ring Activation and Coordinated Solvent During Electrocatalytic H ₂ Production with Fe(Cp ^N3 ) Complexes
    2023/10/09 by Bhumika Goel, Hagen Neugebauer, Andrew I. VanderWeide +5 · 1 voice · 1 citation
    Chemical Engineering · Chemistry · Energy · #CO2 Reduction Techniques and Catalysts #Carbon dioxide utilization in catalysis #Metal-Organic Frameworks: Synthesis and Applications