Stefan Grimme

12PUBLICATIONS
74CO-AUTHORS
Theoretical quantum chemistryComputational chemistryLasers and quantum electronicsEvolutionary computationRadiation and matter
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Publications (12)

|Jul 21, 2026
Benchmarking semiempirical quantum chemical methods on liquid water.

|Jun 06, 2025
Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations.

B Hourahine, M Berdakin, J A Bich

|Feb 27, 2025
Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding.

Abylay Katbashev, Marcel Stahn, Thomas Rose

|Aug 09, 2024
dxtb-An efficient and fully differentiable framework for extended tight-binding.

Marvin Friede, Christian Hölzer, Sebastian Ehlert

|Mar 21, 2024
CREST-A program for the exploration of low-energy molecular chemical space.

Philipp Pracht, Stefan Grimme, Christoph Bannwarth

|Nov 13, 2023
Do Optimally Tuned Range-Separated Hybrid Functionals Require a Reparametrization of the Dispersion Correction? It Depends.

Marvin Friede, Sebastian Ehlert, Stefan Grimme

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Frequent Collaborators

7 joint publications

Stefan Grimme

4 joint publications

Marvin Friede

3 joint publications

B Aradi

3 joint publications

Andreas Hansen