Welcome
We are a new group at the Department of Chemistry at KTH led by Nanna H. List. We develop and apply theoretical methods to explore ultrafast photoinduced correlated electronic and nuclear motion and address questions relevant for energy harvesting, transport, conversion and storage. Intermolecular energy and charge flow is a paradigm in biological systems . Diffraction and spectroscopic techniques provide the bridge between our theoretical work and experiments performed by our collaborators.
If you are a Bachelor Student, Master student, PhD or PostDoc who wants to join the group, read more here.
News
Paper out! How methylation affects internal conversion
Pratip Chakraborty presented at MolVisDay 2023
Recent publications
Deciphering Methylation Effects on S2(ππ*) Internal Conversion in the Simplest Linear α,β-Unsaturated Carbonyl
Pratip Chakraborty, Rafael C. Couto, and Nanna H. List
J. Phys. Chem. A 2023, 127, 25, 5360–5373
Transition moments beyond the electric-dipole approximation: Visualization and basis set requirements
Martin van Horn, Nanna Holmgaard List, Trond Saue
J. Chem. Phys. 158, 184103 (2023)
Steric and Electronic origins of fluorescence in GFP and GFP-like proteins
Chey M. Jones, Nanna H. List, Todd J. Martinez.
J. Am. Chem. Soc. 2022, 144, 28, 12732
Probing Chirality across the Electromagnetic Spectrum with the Full Semi-classical Light–Matter Interaction
Martin van Horn, Trond Saue, and Nanna Holmgaard List,
J. Chem. Phys. 156, 054113 (2022)
Internal Conversion of the Anionic GFP Chromophore: In and Out of the I-twisted S1/S0 Conical Intersection Seam
Nanna H. List, Chey M. Jones and Todd J. Martínez,
Chem. Sci., 2022, 13,373
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
Edward G. Hohenstein, Jimmy K. Yu, Christoph Bannwarth, Nanna Holmgaard List, Alexander C. Paul, Sarai D. Folkestad, Henrik Koch, Todd J. Martínez,
J. Chem. Theory Comput. 2021, 17, 7120