Sebastian Ehlert

ScholarGPS® ID: 48053429014980

Affiliation

University of Bonn, Bonn, Germany

Affiliation History

Field

Physical Sciences and Mathematics

Discipline

Chemistry

Top Specialties

Chemical Physics | Quantum Chemistry | Ring System

Metrics Summary

Publication Count

Predicted Citations

4,887

Predicted h-index

Ranking

Publications and Citation History

Publications based on Top Specialties

Types of Publication

Publications
Books
Patents
NIH/NSF

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CREST—A program for the exploration of low-energy molecular chemical space (journal article) Pracht, Philipp \| Grimme, Stefan \| Bannwarth, Christoph \| Bohle, Fabian \| Ehlert, Sebastian \| Feldmann, Gereon \| Gorges, Johannes \| Müller, Marcel \| Neudecker, Tim \| Plett, Christoph \| ... \| Zeller, Felix The Journal of Chemical Physics, volume 160, issue 11 (2024). 10.1063/5.0197592 Cited by (12) \| Cite \| Source
Do Optimally Tuned Range-Separated Hybrid Functionals Require a Reparametrization of the Dispersion Correction? It Depends (journal article) Friede, Marvin \| Ehlert, Sebastian \| Grimme, Stefan \| Mewes, Jan-Michael Journal of Chemical Theory and Computation, volume 19, issue 22, pages 8097-8107 (2023). 10.1021/acs.jctc.3c00717 Cited by (5) \| Cite \| Source
High‐throughput screening of spin states for transition metal complexes with spin‐polarized extended tight‐binding methods (journal article) Neugebauer, Hagen \| Bädorf, Benedikt \| Ehlert, Sebastian \| Hansen, Andreas \| Grimme, Stefan Journal of Computational Chemistry, volume 44, issue 27, pages 2120-2129 (2023). 10.1002/jcc.27185 Cited by (5) \| Cite \| Source
Extended Conductor-like Polarizable Continuum Solvation Model (CPCM-X) for Semiempirical Methods (journal article) Stahn, Marcel \| Ehlert, Sebastian \| Grimme, Stefan The Journal of Physical Chemistry A, volume 127, issue 33, pages 7036-7043 (2023). 10.1021/acs.jpca.3c04382 Cited by (4) \| Cite \| Source
ONIOM meets xtb : efficient, accurate, and robust multi-layer simulations across the periodic table (journal article) Plett, Christoph \| Katbashev, Abylay \| Ehlert, Sebastian \| Grimme, Stefan \| Bursch, Markus Physical Chemistry Chemical Physics, volume 25, issue 27, pages 17860-17868 (2023). 10.1039/D3CP02178E Cited by (8) \| Cite \| Source
TBMaLT, a flexible toolkit for combining tight-binding and machine learning (journal article) McSloy, A. \| Fan, G. \| Sun, W. \| Hölzer, C. \| Friede, M. \| Ehlert, S. \| Schütte, N.-E. \| Grimme, S. \| Frauenheim, T. \| Aradi, B. The Journal of Chemical Physics, volume 158, issue 3 (2023). 10.1063/5.0132892 Cited by (14) \| Cite \| Source
Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems: (journal article) Ning, Jinliang \| Kothakonda, Manish \| Furness, James W. \| Kaplan, Aaron D. \| Ehlert, Sebastian \| Brandenburg, Jan Gerit \| Perdew, John P. \| Sun, Jianwei Physical Review B, volume 106, issue 7 (2022). 10.1103/PhysRevB.106.075422 Cited by (29) \| Cite \| Source
Conformational Energy Benchmark for Longer n -Alkane Chains (journal article) Ehlert, Sebastian \| Grimme, Stefan \| Hansen, Andreas The Journal of Physical Chemistry A, volume 126, issue 22, pages 3521-3535 (2022). 10.1021/acs.jpca.2c02439 Cited by (24) \| Cite \| Source
Dispersion corrected r2SCAN based global hybrid functionals: r2SCANh, r2SCAN0, and r2SCAN50 (journal article) Bursch, Markus \| Neugebauer, Hagen \| Ehlert, Sebastian \| Grimme, Stefan The Journal of Chemical Physics, volume 156, issue 13 (2022). 10.1063/5.0086040 Cited by (38) \| Cite \| Source
The State of Fortran (journal article) Kedward, Laurence J. \| Aradi, Balint \| Certik, Ondrej \| Curcic, Milan \| Ehlert, Sebastian \| Engel, Philipp \| Goswami, Rohit \| Hirsch, Michael \| Lozada-Blanco, Asdrubal \| Magnin, Vincent \| ... \| Vandenplas, Jeremie Computing in Science & Engineering, volume 24, issue 2, pages 63-72 (2022). 10.1109/MCSE.2022.3159862 Cited by (11) \| Cite \| Source
Calculation of improved enthalpy and entropy of vaporization by a modified partition function in quantum cluster equilibrium theory (journal article) Zaby, Paul \| Ingenmey, Johannes \| Kirchner, Barbara \| Grimme, Stefan \| Ehlert, Sebastian The Journal of Chemical Physics, volume 155, issue 10 (2021). 10.1063/5.0061187 Cited by (13) \| Cite \| Source
Frustrated Lewis‐Pair Neighbors at the Xanthene Framework: Epimerization at Phosphorus and Cooperative Formation of Macrocyclic Adduct Structures (journal article) Škoch, Karel \| Daniliuc, Constantin G. \| Kehr, Gerald \| Ehlert, Sebastian \| Müller, Marcel \| Grimme, Stefan \| Erker, Gerhard Chemistry – A European Journal, volume 27, issue 47, pages 12104-12114 (2021). 10.1002/chem.202100835 Cited by (3) \| Cite \| Source
Robust and Efficient Implicit Solvation Model for Fast Semiempirical Methods (journal article) Ehlert, Sebastian \| Stahn, Marcel \| Spicher, Sebastian \| Grimme, Stefan Journal of Chemical Theory and Computation, volume 17, issue 7, pages 4250-4261 (2021). 10.1021/acs.jctc.1c00471 Cited by (225) \| Cite \| Source
Extended tight‐binding quantum chemistry methods (journal article) Bannwarth, Christoph \| Caldeweyher, Eike \| Ehlert, Sebastian \| Hansen, Andreas \| Pracht, Philipp \| Seibert, Jakob \| Spicher, Sebastian \| Grimme, Stefan WIREs Computational Molecular Science, volume 11, issue 2 (2021). 10.1002/wcms.1493 Cited by (676) \| Cite \| Source
r2SCAN-3c: A “Swiss army knife” composite electronic-structure method (journal article) Grimme, Stefan \| Hansen, Andreas \| Ehlert, Sebastian \| Mewes, Jan-Michael The Journal of Chemical Physics, volume 154, issue 6 (2021). 10.1063/5.0040021 Cited by (373) \| Cite \| Source
r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications (journal article) Ehlert, Sebastian \| Huniar, Uwe \| Ning, Jinliang \| Furness, James W. \| Sun, Jianwei \| Kaplan, Aaron D. \| Perdew, John P. \| Brandenburg, Jan Gerit The Journal of Chemical Physics, volume 154, issue 6 (2021). 10.1063/5.0041008 Cited by (83) \| Cite \| Source
Exploring the chemical nature of super-heavy main-group elements by means of efficient plane-wave density-functional theory (journal article) Trombach, Lukas \| Ehlert, Sebastian \| Grimme, Stefan \| Schwerdtfeger, Peter \| Mewes, Jan-Michael Physical Chemistry Chemical Physics, volume 21, issue 33, pages 18048-18058 (2019). 10.1039/C9CP02455G Cited by (33) \| Cite \| Source
A generally applicable atomic-charge dependent London dispersion correction (journal article) Caldeweyher, Eike \| Ehlert, Sebastian \| Hansen, Andreas \| Neugebauer, Hagen \| Spicher, Sebastian \| Bannwarth, Christoph \| Grimme, Stefan The Journal of Chemical Physics, volume 150, issue 15 (2019). 10.1063/1.5090222 Cited by (823) \| Cite \| Source
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions (journal article) Bannwarth, Christoph \| Ehlert, Sebastian \| Grimme, Stefan Journal of Chemical Theory and Computation, volume 15, issue 3, pages 1652-1671 (2019). 10.1021/acs.jctc.8b01176 Cited by (1,918) \| Cite \| Source
Understanding and Quantifying London Dispersion Effects in Organometallic Complexes (journal article) Bursch, Markus \| Caldeweyher, Eike \| Hansen, Andreas \| Neugebauer, Hagen \| Ehlert, Sebastian \| Grimme, Stefan Accounts of Chemical Research, volume 52, issue 1, pages 258-266 (2019). 10.1021/acs.accounts.8b00505 Cited by (117) \| Cite \| Source