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Stefan Grimme

11PUBLICATIONS

68CO-AUTHORS

Computational chemistryLasers and quantum electronicsEvolutionary computationRadiation and matterTheoretical quantum chemistry

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Publications (11)

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|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

|Aug 11, 2023

Extended Conductor-like Polarizable Continuum Solvation Model (CPCM-X) for Semiempirical Methods.

Marcel Stahn, 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

2 joint publications

B Hourahine

2 joint publications

C Camacho

2 joint publications

Christian Hölzer

2 joint publications

A M N Niklasson

2 joint publications

S K Min

2 joint publications

S Irle

Frequent Collaborators

7 joint publications

Stefan Grimme

4 joint publications

Marvin Friede

3 joint publications

B Aradi

3 joint publications

Andreas Hansen

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