Sebastian Ehlert

Employment

• Microsoft Research
  2022 - Present

Education

• University of Bonn
  2014 - 2022

Projects & Funding

Projects & funding information is unavailable.

Publications (33)

• Benchmarking semiempirical quantum chemical methods on liquid water
  The Journal of Chemical Physics 2026 DOI: 10.1063/5.0343753
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• Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations
  The Journal of Physical Chemistry A 2025 DOI: 10.1021/acs.jpca.5c01146
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• Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding
  The Journal of Physical Chemistry A 2025 DOI: 10.1021/acs.jpca.4c08263
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• Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding
  2025 DOI: 10.26434/chemrxiv-2024-pvfs0-v2
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• Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding
  2024 DOI: 10.26434/chemrxiv-2024-pvfs0
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• Simple DFT-D3: Library first implementation of the D3 dispersion correction
  Journal of Open Source Software 2024 DOI: 10.21105/joss.07169
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• dxtb—An efficient and fully differentiable framework for extended tight-binding
  The Journal of Chemical Physics 2024 DOI: 10.1063/5.0216715
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• CREST—A program for the exploration of low-energy molecular chemical space
  The Journal of Chemical Physics 2024 DOI: 10.1063/5.0197592
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• Do Optimally Tuned Range-Separated Hybrid Functionals Require a Reparametrization of the Dispersion Correction? It Depends
  Journal of Chemical Theory and Computation 2023 DOI: 10.1021/acs.jctc.3c00717
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• High‐throughput screening of spin states for transition metal complexes with spin‐polarized extended tight‐binding methods
  Journal of Computational Chemistry 2023 DOI: 10.1002/jcc.27185
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