Welcome
We are a new group at the Division of Theoretical Chemistry and Biology, 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
New preprint! How methylation affects internal conversion
Pratip Chakraborty presented at MolVisDay 2023
Recent publications
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
Direct observation of ultrafast hydrogen bond strengthening in liquid water
Jie Yang, Riccardo Dettori, J. Pedro F. Nunes, Nanna H. List, Elisa Biasin, Martin Centurion, Zhijiang Chen, Amy A. Cordones, Daniel P. Deponte, Tony F. Heinz, Michael E. Kozina, Kathryn Ledbetter, Ming-Fu Lin, Aaron M. Lindenberg, Mianzhen Mo, Anders Nilsson, Xiaozhe Shen, Thomas J. A. Wolf, Davide Donadio, Kelly J. Gaffney, Todd J. Martinez, Xijie Wang,
Nature, 2021, 596, 531
Resolving the Ultrafast Dynamics of the Anionic Green Fluorescent Protein Chromophore in Water
C. M. Jones, N. H. List, T. J. Martínez,
Chem. Sci., 2021, 12, 11347