275 citations · 432 across the 5 of their papers we have counts for
6 papers
Simulated Solvation Dynamics of a Photoexcited Organic Molecule and the Associated Time-Resolved X-ray Scattering Signal
Simon Petry, Magnús Kristinsson, Asmus O. Dohn +3
Solvation shell reorganization is a key component of the dynamics after photoexcitation of a solvated molecule, especially for charge-transfer excitation in polar solvents. These s…
Decoherence and vibrational energy relaxation of the electronically excited PtPOP complex in solution
Benedikt O Birgisson, Asmus Ougaard Dohn, Hannes Jónsson +1
Understanding the ultrafast vibrational relaxation following photoexcitation of molecules in a condensed phase is essential to predict the outcome and improve the efficiency of pho…
GPAW: An open Python package for electronic-structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma +44
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density…
Elastic Collision Based Dynamic Partitioning Scheme for Hybrid Simulations
Björn Kirchhoff, Elvar Örn Jónsson, Asmus Ougaard Dohn +2
The scattering-adapted flexible inner region ensemble separator (SAFIRES) is a partitioning scheme designed to divide a simulation cell into two regions to be treated with differen…
Anisotropy enhanced X-ray scattering from solvated transition metal complexes
Elisa Biasin, Tim B. van Driel, Gianluca Levi +14
Time-resolved X-ray scattering patterns from photoexcited molecules in solution are in many cases anisotropic at the ultrafast time scales accessible at X-ray Free Electron Lasers…
Femtosecond X-Ray Scattering Study of Ultrafast Photoinduced Structural Dynamics in Solvated [Co(terpy)2]2+
Elisa Biasin, Tim Brandt van Driel, Kasper S. Kjær +30
We study the structural dynamics of photoexcited [Co(terpy)2]2+ in an aqueous solution with ultrafast x-ray diffuse scattering experiments conducted at the Linac Coherent Light Sou…