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 – ) (On leave January 2022 – )
- Professor at Department of Chemistry, NTNU, Trondheim Norway. (January 2022 – )
- Professor II at the Department of Chemistry, NTNU,Trondheim, Norway. (January 2018 – December 2021)
- 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).
- TKJ4530 - Nanotechnology, Specialization Project
- TKJ4510 - Applied Theoretical Chemistry, Specialization Project
- KJ2900 - Bachelor project in Chemistry
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
- (2022) Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study. Physical Chemistry, Chemical Physics - PCCP. vol. 24 (8).
- (2022) Multi-electron excitation contributions towards primary and satellite states in the photoelectron spectrum. Physical Chemistry, Chemical Physics - PCCP. vol. 24 (14).
- (2022) Oscillator Strengths in the Framework of Equation of Motion Multilevel CC3. Journal of Chemical Theory and Computation. vol. 18 (9).
- (2022) Molecular orbital theory in cavity QED environments. Nature Communications. vol. 13 (1).
- (2022) Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals. Journal of Chemical Physics. vol. 156 (24).
- (2022) Simulating weak-field attosecond processes with a Lanczos reduced basis approach to time-dependent equation-of-motion coupled-cluster theory. Physical Review A (PRA). vol. 105 (2).
- (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) Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory. Nano Letters. vol. 21 (15).
- (2021) Linear-Scaling Implementation of Multilevel Hartree-Fock Theory. Journal of Chemical Theory and Computation.
- (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) Multilevel Density Functional Theory. Journal of Chemical Theory and Computation. vol. 17 (2).
- (2021) The effect of midbond functions on interaction energies computed using MP2 and CCSD(T). Journal of Computational Chemistry.
- (2021) 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).