Background and activities
Henrik Koch (1964) is a professor in theoretical chemistry. He obtained his MSc and PhD degrees from Aarhus University in Denmark, both under the supervision of Prof. Emeritus Poul Jørgensen.
His research activities focus on development and application of accurate electronic structure methods for molecules in general, and molecules strongly coupled to optical and plasmonic cavities, in particular. The group's software platform is eT (an electronic structure program). It is freely available at etprogram.org, where several research projects are showcased.
- Full professor in theoretical chemistry at Scuola Normale Superiore di Pisa, PIsa, Italy. (January 2018 – )
- Adjunct professor at Department of Chemistry, NTNU, Trondheim Norway. (January 2018 –)
- Full professor at the Department of Chemistry, NTNU,Trondheim, Norway. (October 2002 – December 2017)
- Visiting scholar at the Department of Chemistry, Stanford University, California, USA. (June 2014 – June 2016)
Selected research grants
- CCGPU, Norwegian Research Council research project (2016).
- COSINE, EU-project 765739 an ITN-ETN network (2017).
- TheoLight, Norwegian Research Council, ToppForsk excellence grant (2018).
- TheoLight, Scuola Normale Superiore, internal infrastructure grant (2019).
- Elected member, The Royal NorwegianSociety of Science and Letters (2007).
- Prize for outstanding pedagogical achievements NT-faculty, NTNU (2012).
Scientific, academic and artistic work
A selection of recent journal publications, artistic productions, books, including book and report excerpts. See all publications in the database
- (2021) Excited State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods. Journal of Chemical Theory and Computation. vol. 17 (3).
- (2021) Multilevel CC2 and CCSD in Reduced Orbital Spaces: Electronic Excitations in Large Molecular Systems. Journal of Chemical Theory and Computation. vol. 17.
- (2021) Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks. Journal of Chemical Physics. vol. 154 (11).
- (2021) 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.
- (2021) Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models. Journal of Computational Chemistry. vol. 42 (20).
- (2021) A new and efficient implementation of CC3. Journal of Chemical Theory and Computation. vol. 17.
- (2021) Intermolecular interactions in optical cavities: An ab initio QED study. Journal of Chemical Physics. vol. 154.
- (2021) Transient Resonant Auger-Meitner Spectra of Photoexcited Thymine. Faraday discussions. vol. 228.
- (2020) eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods. Journal of Chemical Physics. vol. 152 (18).
- (2020) Equation-of-Motion MLCCSD and CCSD-in-HF Oscillator Strengths and Their Application to Core Excitations. Journal of Chemical Theory and Computation. vol. 16 (11).
- (2020) Energy-Based Molecular Orbital Localization in a Specific Spatial Region. Journal of Chemical Theory and Computation. vol. 17 (1).
- (2020) Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States. Physical Review X.
- (2020) Accelerated multimodel Newton-type algorithms for faster convergence of ground and excited state coupled cluster equations. Journal of Chemical Physics. vol. 153 (1).
- (2020) Biorthonormal Formalism for Nonadiabatic Coupled Cluster Dynamics. Journal of Chemical Theory and Computation. vol. 17 (1).
- (2020) Time-dependent coupled-cluster theory for ultrafast transient-absorption spectroscopy. Physical Review A (PRA). vol. 102 (2).
- (2020) Accurate Description of Photoionization Dynamical Parameters. The Journal of Physical Chemistry Letters. vol. 11 (13).
- (2019) An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets. Advances in Quantum Chemistry. vol. 79.
- (2019) Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges. Journal of Chemical Physics. vol. 151 (14).
- (2019) An efficient algorithm for Cholesky decomposition of electron repulsion integrals. Journal of Chemical Physics. vol. 150 (19).
- (2019) Multilevel CC2 and CCSD Methods with Correlated Natural Transition Orbital. Journal of Chemical Theory and Computation.