Andreas Hansen

University of Bonn — Germany

Physics and Astronomy · Physical Sciences

48h-index21.1kcitations216works4.62yr avg
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Research Topics

Advanced Chemical Physics Studies(74), X-ray Diffraction in Crystallography(45), Crystallization and Solubility Studies(43), Machine Learning in Materials Science(31), Crystallography and molecular interactions(27)

Publications216 total

Redox Robust Mn(I/0/-I) Dicarbenes: Electrochemistry, Steric Mapping, and Borate-Directed C-C Bond Formation
2026
Erratum: “Submatrix and GPU-accelerated implementation of density matrix tight-binding” [J. Chem. Phys. 163, 132501 (2025)]
The Journal of Chemical Physics·2026Open Access
Rapid and Selective Metal-Free O2 Reduction to H2O2 Using a Molecular CpN3 Electrocatalyst
2025
Supramolecular Host‐Guest Complexation Dynamics by Cost‐Efficient Electronic Structure Methods
Chemistry - A European Journal·2025
Submatrix and GPU-accelerated implementation of density matrix tight-binding
The Journal of Chemical Physics·2025· 1 cited
A 100,000-fold Increase in C-H Bond Acidity Gives Palladium a Key Advantage in C(sp3)-H Activation Compared to Nickel
2025Open Access
A 100,000-Fold Increase in C–H Bond Acidity Gives Palladium a Key Advantage in C(sp <sup>3</sup> )–H Activation Compared to Nickel
Journal of the American Chemical Society·2025· 2 citedOpen Access
Chemical Space Exploration with Artificial “Mindless” Molecules
Journal of Chemical Information and Modeling·2025· 2 cited
Disentangling the Noncovalent Interactions That Drive Coinage Metal Cluster Dimerization
The Journal of Physical Chemistry A·2025· 4 cited
A 100,000-fold Increase in C-H Bond Acidity Gives Palladium a Key Advantage in C(sp3)-H Activation Compared to Nickel
2025Open Access
Expanding the PCET Thermochemistry of Cp<sup>N3</sup>: N–H Bond Strengths of Metal-Free Cp<sup>N3</sup> Molecules and the Influence of Fe(CO)<sub>3</sub> Coordination
ACS Organic & Inorganic Au·2025Open Access
Supramolecular Host-Guest Complexation Dynamics by Cost-Efficient Electronic Structure Methods
2025· 1 citedOpen Access
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics
The Journal of Physical Chemistry A·2025· 5 citedOpen Access
Chemical Space Exploration with Artificial ”Mindless” Molecules
2025Open Access
g-xTB: A General-Purpose Extended Tight-Binding Electronic Structure Method For the Elements H to Lr (Z=1–103)
2025· 23 citedOpen Access
Disentangling the noncovalent interactions that drive metal cluster dimerization
2025Open Access
Chemical Space Exploration with Artificial ”Mindless” Molecules
2025· 1 citedOpen Access
The bond capacity electronegativity equilibration charge model (EEQBC) for the elements <i>Z</i> = 1–103
The Journal of Chemical Physics·2025· 2 cited
Hydrogen Bond Interaction Networks in the Mixed Pentamers of Hydrogen Sulfide and Water
Journal of the American Chemical Society·2025· 4 citedOpen Access
Accurate Calculation of Noncovalent Interactions Using PNO-LCCSD(T)-F12 in Molpro
The Journal of Physical Chemistry A·2025· 3 cited
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Frequent Co-authors

Stefan Grimme(40), Frank Neese(13), Markus Bursch(9), Christoph Bannwarth(8), Eike Caldeweyher(5), Sebastian Ehlert(5), Sebastian Spicher(5), Philipp Pracht(5), Jan‐Michael Mewes(4), Fabian Bohle(4), Frank Wennmohs(3), Hagen Neugebauer(3), Jan Gerit Brandenburg(3), Jakob Seibert(3), Dimitrios G. Liakos(3), Sebastian Dohm(3), Jens Antony(3), Christoph Riplinger(2), Christoph Bauer(2), Jana Pisarek(2)