Henrik Koch

Professor II

Institutt for kjemi

henrik.koch@ntnu.no 73594165

Realfagbygget, D3-109, Gløshaugen, Høgskoleringen 5

henrik.koch@ntnu.no

Henrik Koch (1964) er professor i teoretisk kjemi. Han har master- og doktorgrad fra Aarhus Universitet i Danmark, med professor emeritus Poul Jørgensen som veileder.

Forskningsinteresser

Hans forskningsaktiviteter fokuserer på utvikling og anvendelse av nøyaktige elektronstruktur-metoder for molekyler generelt, og spesifikt for molekyler med sterk kobling til optiske og plasmoniske kavitet. Programvareplattformen er programmet eT (et program for elektronstruktur), som finnes fritt tilgjengelig på etprogram.org.

Nåværende stilling

Professor i teoretisk kjemi ved Scuola Normale Superiore di Pisa i Pisa, Italia (Januar 2018 – )
Professor II ved Institutt for kjemi ved NTNU i Trondheim (Januar 2018 - )

Les mer i den engelske ansattprofilen

Emner

Vitenskapelig, faglig og kunstnerisk arbeid

Et utvalg av nyere tidsskriftspublikasjoner, kunstneriske produksjoner, bok, inklusiv bokdeler og rapport-del. Se alle publikasjoner i databasen

Tidsskriftspublikasjoner

Fedotov, Daniil; Paul, Alexander Christian; Koch, Henrik; Santoro, Fabrizio; Coriani, Sonia; Improta, Roberto. (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).
Moitra, Torsha; Paul, Alexander Christian; Decleva, Piero; Koch, Henrik; Coriani, Sonia. (2022) Multi-electron excitation contributions towards primary and satellite states in the photoelectron spectrum. Physical Chemistry, Chemical Physics - PCCP. vol. 24 (14).
Riso, Rosario Roberto; Haugland, Tor S.; Ronca, Enrico; Koch, Henrik. (2022) Molecular orbital theory in cavity QED environments. Nature Communications. vol. 13 (1).
Skeidsvoll, Andreas Sæther; Moitra, Torsha; Balbi, Alice; Paul, Alexander Christian; Coriani, Sonia; Koch, Henrik. (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).
Fedotov, Daniil; Paul, Alexander Christian; Posocco, Paolo; Santoro, Fabrizio; Garavelli, Marco; Koch, Henrik; Coriani, Sonia; Improta, Roberto. (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).
Folkestad, Sarai Dery; Kjønstad, Eirik Fadum; Goletto, Linda; Koch, Henrik. (2021) Multilevel CC2 and CCSD in Reduced Orbital Spaces: Electronic Excitations in Large Molecular Systems. Journal of Chemical Theory and Computation. vol. 17.
Fregoni, Jacopo; Haugland, Tor S.; Pipolo, Silvio; Giovannini, Tommaso; Koch, Henrik; Corni, Stefano. (2021) Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory. Nano Letters. vol. 21 (15).
Goletto, Linda; Kjønstad, Eirik Fadum; Folkestad, Sarai D.; Høyvik, Ida-Marie; Koch, Henrik. (2021) Linear-Scaling Implementation of Multilevel Hartree-Fock Theory. Journal of Chemical Theory and Computation.
Gulania, Sahil; Kjønstad, Eirik Fadum; Stanton, John F.; Koch, Henrik; Krylov, Anna I.. (2021) Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks. Journal of Chemical Physics. vol. 154 (11).
Hohenstein, Edward G; Yu, Jimmy; Bannwarth, Christoph; Holmgaard List, Nanna; Paul, Alexander Christian; Folkestad, Sarai Dery; Koch, Henrik; Martinez, Todd J.. (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.
Hutcheson, Anders; Paul, Alexander Christian; Myhre, Rolf Heilemann; Koch, Henrik; Høyvik, Ida-Marie. (2021) Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models. Journal of Computational Chemistry. vol. 42 (20).
Marrazzini, Gioia; Giovannini, Tommaso; Scavino, Marco; Egidi, Franco; Cappelli, Chiara; Koch, Henrik. (2021) Multilevel Density Functional Theory. Journal of Chemical Theory and Computation. vol. 17 (2).
Matveeva, Regina; Erichsen, Merete Falck; Koch, Henrik; Høyvik, Ida-Marie. (2021) The effect of midbond functions on interaction energies computed using MP2 and CCSD(T). Journal of Computational Chemistry.
Paul, Alexander Christian; Myhre, Rolf Heilemann; Koch, Henrik. (2021) New and efficient implementation of CC3. Journal of Chemical Theory and Computation. vol. 17.
Haugland, Tor Strømsem; Schäfer, Christian; Ronca, Enrico; Rubio, Angel; Koch, Henrik. (2021) Intermolecular interactions in optical cavities: An ab initio QED study. Journal of Chemical Physics. vol. 154.
Wolf, Thomas J. A.; Paul, Alexander Christian; Folkestad, Sarai Dery; Myhre, Rolf Heilemann; Cryan, James P.; Berrah, Nora; Bucksbaum, Philip H.; Coriani, Sonia; Coslovich, Giacomo; Feifel, Raimund; Martinez, Todd J.; Moeller, Stefan P.; Mucke, Melanie; Obaid, Razib; Plekan, Oksana; Squibb, Richard; Koch, Henrik; Gühr, Markus. (2021) Transient Resonant Auger-Meitner Spectra of Photoexcited Thymine. Faraday discussions. vol. 228.
Folkestad, Sarai Dery; Kjønstad, Eirik Fadum; Myhre, Rolf Heilemann; Andersen, Josefine; Balbi, Alice; Coriani, Sonia; Giovannini, Tommaso; Goletto, Linda; Haugland, Tor Strømsem; Hutcheson, Anders; Høyvik, Ida-Marie; Moitra, Torsha; Paul, Alexander Christian; Scavino, Marco; Skeidsvoll, Andreas Sæther; Tveten, Åsmund; Koch, Henrik. (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).
Folkestad, Sarai Dery; Koch, Henrik. (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).
Giovannini, Tommaso; Koch, Henrik. (2020) Energy-Based Molecular Orbital Localization in a Specific Spatial Region. Journal of Chemical Theory and Computation. vol. 17 (1).
Haugland, Tor S.; Enrico, Ronca; Kjønstad, Eirik Fadum; Rubio, Angel; Koch, Henrik. (2020) Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States. Physical Review X.

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