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Philipp Pracht | Researchclopedia

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Philipp Pracht

Heidelberg University ORCID

43

Works

5,683

Citations

19

h-index

23

i10-index

Research Topics

Spectroscopy and Quantum Chemical Studies Advanced Chemical Physics Studies Machine Learning in Materials Science

Affiliations

University of Bonn2017–2022

Heidelberg University2024–2025

University of Cambridge2023–2025

Center for Theoretical Physics2020–2021

Massachusetts Institute of Technology2024–2025

Top Works

Automated exploration of the low-energy chemical space with fast quantum chemical methods

Philipp Pracht,Fabian Bohle,et al.

20202,198 citations

Free Radicals and Antioxidants

Chemical Thermodynamics and Molecular Structure

Extended <scp>tight‐binding</scp> quantum chemistry methods

Christoph Bannwarth,Eike Caldeweyher,et al.

20201,471 citations

CREST—A program for the exploration of low-energy molecular chemical space

Philipp Pracht,Stefan Grimme,et al.

2024391 citations

Efficient Quantum Chemical Calculation of Structure Ensembles and Free Energies for Nonrigid Molecules

Stefan Grimme,Fabian Bohle,et al.

2021271 citations

Fully Automated Quantum‐Chemistry‐Based Computation of Spin–Spin‐Coupled Nuclear Magnetic Resonance Spectra

Stefan Grimme,Christoph Bannwarth,et al.

2017198 citations

Calculation of absolute molecular entropies and heat capacities made simple

Philipp Pracht,Stefan Grimme

2021189 citations

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

Philipp Pracht,Eike Caldeweyher,et al.

2019134 citations

Automated Molecular Cluster Growing for Explicit Solvation by Efficient Force Field and Tight Binding Methods

Sebastian Spicher,Christoph Plett,et al.

2022128 citations

Theoretical study on conformational energies of transition metal complexes

Markus Bursch,Andreas Hansen,et al.

2020110 citations