Eike Caldeweyher - Dissemin

All papers authored by Eike Caldeweyher

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2022 Eike Caldeweyher

, Christoph Bauer

, Ali Soltani Tehrani

An open-source framework for fast-yet-accurate calculation of quantum mechanical features

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2021 Sebastian Spicher, Eike Caldeweyher

, Andreas Hansen, Stefan Grimme

Benchmarking London dispersion corrected density functional theory for noncovalent ion-pi interactions

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Eike Caldeweyher

kallisto: A command-line interface to simplify computational modelling and the generation of atomic features

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Sebastian Spicher

, Eike Caldeweyher

, Andreas Hansen

, Stefan Grimme

Benchmarking London dispersion corrected density functional theory for noncovalent ion–π interactions

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2020 Eike Caldeweyher

, Sebastian Spicher, Andreas Hansen, Stefan Grimme

Application of London Dispersion Corrected Density Functional Theory for Non-Covalent Ion-π Interactions

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Christoph Bannwarth

, Eike Caldeweyher

, Sebastian Ehlert

, Andreas Hansen

, Philipp Pracht

, Jakob Seibert

, Sebastian Spicher

, Stefan Grimme

Extended tight‐binding quantum chemistry methods

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Eike Caldeweyher

, Jan-Michael Mewes

, Sebastian Ehlert, Stefan Grimme

Extension and evaluation of the D4 London-dispersion model for periodic systems

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2019 Eike Caldeweyher

, Sebastian Ehlert

, Andreas Hansen

, Hagen Neugebauer

, Sebastian Spicher

, Christoph Bannwarth

, Stefan Grimme

A generally applicable atomic-charge dependent London dispersion correction

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2018 Markus Bursch

, Eike Caldeweyher

, Andreas Hansen

, Hagen Neugebauer

, Sebastian Ehlert, Stefan Grimme

Understanding and Quantifying London Dispersion Effects in Organometallic Complexes

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Eike Caldeweyher

, Sebastian Ehlert, Andreas Hansen, Hagen Neugebauer, Sebastian Spicher, Christoph Bannwarth, Stefan Grimme

A Generally Applicable Atomic-Charge Dependent London Dispersion Correction Scheme

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Eike Caldeweyher

, Jan Gerit Brandenburg

Simplified DFT methods for consistent structures and energies of large systems

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2017 Stefan Grimme

, Christoph Bannwarth

, Eike Caldeweyher

, Jana Pisarek, Andreas Hansen

A general intermolecular force field based on tight-binding quantum chemical calculations

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Eike Caldeweyher

, Christoph Bannwarth

, Stefan Grimme

Extension of the D3 dispersion coefficient model

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Sören Rösel, Henrik Quanz, Christian Logemann, Jonathan Becker, Estelle Mossou, Laura Cañadillas-Delgado, Eike Caldeweyher

, Stefan Grimme, Peter R. Schreiner

London Dispersion Enables the Shortest Intermolecular Hydrocarbon H˙˙˙ H Contact

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2016 Jan Gerit Brandenburg, Eike Caldeweyher

, Stefan Grimme

Screened exchange hybrid density functional for accurate and efficient structures and interaction energies

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1970 Philipp Pracht

, Eike Caldeweyher

, Sebastian Ehlert, Stefan Grimme

A Robust Non-Self-Consistent Tight-Binding Quantum Chemistry Method for large Molecules

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All papers authored by Eike Caldeweyher