Christoph Bannwarth (Marianne Engeser)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 26

Top Topics

Density Functional Theory

Energy Transfer

Helicobacter Pylori

Molecular Dynamics

Top Venues

Journal of the American Chemical Society

Angewandte Chemie (International ed. in English)

Journal of chemical theory and computation

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Pit Steinbach, Christoph Bannwarth
Combining low-cost electronic structure theory and low-cost parallel computing architecture. Physical chemistry chemical physics : PCCP (2024)
Luca Mareen Denkler, Meghana Aladahalli Shekar, Tak Shing Jason Ngan, Luke Wylie, Dinar Abdullin, Christoph Bannwarth, Gregor Schnakenburg, Tobias Hett, Frank Hendrik Pilz, Barbara Kirchner, Olav Schiemann, Patrycja J Kielb, Ala Bunescu
A General Iron-Catalyzed Decarboxylative Oxygenation of Aliphatic Carboxylic Acids. Angewandte Chemie (International ed. in English) 63 (32) (2024)
Pit Steinbach, Christoph Bannwarth
Combining low-cost electronic structure theory and low-cost parallel computing architecture. Physical chemistry chemical physics : PCCP 26 (23) (2024)
Luca Mareen Denkler, Meghana Aladahalli Shekar, Tak Shing Jason Ngan, Luke Wylie, Dinar Abdullin, Christoph Bannwarth, Gregor Schnakenburg, Tobias Hett, Frank Hendrik Pilz, Barbara Kirchner, Olav Schiemann, Patrycja J Kielb, Ala Bunescu
A General Iron-Catalyzed Decarboxylative Oxygenation of Aliphatic Carboxylic Acids. Angewandte Chemie (International ed. in English) (2024)
Roger Jan Kutta, Johannes Großkopf, Nils van Staalduinen, Antonia Seitz, Philipp Pracht, Thorsten Bach, Christoph Bannwarth, Patrick Nuernberger, Thorsten Bach
Multifaceted View on the Mechanism of a Photochemical Deracemization Reaction. Journal of the American Chemical Society (2023)
Philipp Pracht, Christoph Bannwarth
Finding Excited-State Minimum Energy Crossing Points on a Budget: Non-Self-Consistent Tight-Binding Methods. The journal of physical chemistry letters 14 (19) (2023)
Bohan Tang, Mike Pauls, Christoph Bannwarth, Stefan Hecht
Photoswitchable Quadruple Hydrogen-Bonding Motif. Journal of the American Chemical Society (2023)
Roger Jan Kutta, Johannes Großkopf, Nils van Staalduinen, Antonia Seitz, Philipp Pracht, Thorsten Bach, Christoph Bannwarth, Patrick Nuernberger, Thorsten Bach
Multifaceted View on the Mechanism of a Photochemical Deracemization Reaction. Journal of the American Chemical Society (2023)
Roger Jan Kutta, Johannes Großkopf, Nils van Staalduinen, Antonia Seitz, Philipp Pracht, Thorsten Bach, Christoph Bannwarth, Patrick Nuernberger, Thorsten Bach
Multifaceted View on the Mechanism of a Photochemical Deracemization Reaction. Journal of the American Chemical Society (2023)
Philipp Pracht, Christoph Bannwarth
Finding Excited-State Minimum Energy Crossing Points on a Budget: Non-Self-Consistent Tight-Binding Methods. The journal of physical chemistry letters (2023)
Philipp Pracht, Christoph Bannwarth
Finding Excited-State Minimum Energy Crossing Points on a Budget: Non-Self-Consistent Tight-Binding Methods. The journal of physical chemistry letters 14 (19) (2023)
Roger Jan Kutta, Johannes Großkopf, Nils van Staalduinen, Antonia Seitz, Philipp Pracht, Thorsten Bach, Christoph Bannwarth, Patrick Nuernberger, Thorsten Bach
Multifaceted View on the Mechanism of a Photochemical Deracemization Reaction. Journal of the American Chemical Society 145 (4) (2023)
Christoph Bannwarth, Todd J Martinez
SQMBox: Interfacing a semiempirical integral library to modular ab initio electronic structure enables new semiempirical methods. The Journal of chemical physics 158 (7) (2023)
Umberto Raucci, Hayley Weir, Christoph Bannwarth, David M Sanchez, Todd J Martinez
Chiral photochemistry of achiral molecules. Nature communications 13 (1) (2022)
Philipp Pracht, Christoph Bannwarth
Fast Screening of Minimum Energy Crossing Points with Semiempirical Tight-Binding Methods. Journal of chemical theory and computation 18 (10) (2022)
Thilo Kratz, Pit Steinbach, Thorsten Bach, Golo Storch, Christoph Bannwarth, Thorsten Bach
Photochemical Deracemization of Chiral Alkenes via Triplet Energy Transfer. Journal of the American Chemical Society 144 (23) (2022)
Gwyndaf A Oliver, Maximilian N Loch, André U Augustin, Pit Steinbach, Mohammed Sharique, Uttam K Tambar, Peter G Jones, Christoph Bannwarth, Daniel B Werz
Cycloadditions of Donor-Acceptor Cyclopropanes and -butanes using S=N-Containing Reagents: Access to Cyclic Sulfinamides, Sulfonamides, and Sulfinamidines. Angewandte Chemie (International ed. in English) 60 (49) (2021)
A Lennart Schleper, Kenichi Goushi, Christoph Bannwarth, Bastian Haehnle, Philipp J Welscher, Chihaya Adachi, Alexander J C Kuehne
Hot exciplexes in U-shaped TADF molecules with emission from locally excited states. Nature communications 12 (1) (2021)
Edward G Hohenstein, Jimmy K Yu, Christoph Bannwarth, Nanna Holmgaard List, Alexander C Paul, Sarai Dery Folkestad, Eirik F Kjønstad, Todd J Martinez
Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole-Hole Tamm-Dancoff-Approximated Density Functional Theory. Journal of chemical theory and computation 17 (11) (2021)
Manuel Plaza, Johannes Großkopf, Thorsten Bach, Christoph Bannwarth, Thorsten Bach
Photochemical Deracemization of Primary Allene Amides by Triplet Energy Transfer: A Combined Synthetic and Theoretical Study. Journal of the American Chemical Society 143 (29) (2021)
Jimmy K Yu, Christoph Bannwarth, Ruibin Liang, Edward G Hohenstein, Todd J Martinez
Nonadiabatic Dynamics Simulation of the Wavelength-Dependent Photochemistry of Azobenzene Excited to the nπ* and ππ* Excited States. Journal of the American Chemical Society 142 (49) (2020)
Jimmy K Yu, Christoph Bannwarth, Edward G Hohenstein, Todd J Martinez
Ab Initio Nonadiabatic Molecular Dynamics with Hole-Hole Tamm-Dancoff Approximated Density Functional Theory. Journal of chemical theory and computation 16 (9) (2020)
Marc de Wergifosse, Christoph Bannwarth, Stefan Grimme
A Simplified Spin-Flip Time-Dependent Density Functional Theory Approach for the Electronic Excitation Spectra of Very Large Diradicals. The journal of physical chemistry. A 123 (27) (2019)
Christoph Bannwarth, Sebastian Ehlert, Stefan Grimme
GFN2-xTB-An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions. Journal of chemical theory and computation 15 (3) (2019)
Jan Gerit Brandenburg, Christoph Bannwarth, Andreas Hansen, Stefan Grimme
B97-3c: A revised low-cost variant of the B97-D density functional method. The Journal of chemical physics 148 (6) (2018)
Stefan Grimme, Christoph Bannwarth, Sebastian Dohm, Andreas Hansen, Jana Pisarek, Philipp Pracht, Jakob Seibert, Frank Neese
Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra. Angewandte Chemie (International ed. in English) 56 (46) (2017)