Machine learning for electronically excited states of molecules
Electronically excited states of molecules are at the heart of photochemistry, photophysics,
as well as photobiology and also play a role in material science. Their theoretical description …
as well as photobiology and also play a role in material science. Their theoretical description …
[HTML][HTML] Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound space
Machine learning (ML) has shown to advance the research field of quantum chemistry in
almost any possible direction and has also recently been applied to investigate the …
almost any possible direction and has also recently been applied to investigate the …
Spectroscopic and structural probing of excited-state molecular dynamics with time-resolved photoelectron spectroscopy and ultrafast electron diffraction
Pump-probe measurements aim to capture the motion of electrons and nuclei on their
natural timescales (femtoseconds to attoseconds) as chemical and physical transformations …
natural timescales (femtoseconds to attoseconds) as chemical and physical transformations …
Observation of ionization enhancement in two-color circularly polarized laser fields
When atoms are irradiated by two-color circularly polarized laser fields the resulting strong-
field processes are dramatically different than when the same atoms are irradiated by a …
field processes are dramatically different than when the same atoms are irradiated by a …
Revealing deactivation pathways hidden in time-resolved photoelectron spectra
Time-resolved photoelectron spectroscopy is commonly employed with the intention to
monitor electronic excited-state dynamics occurring in a neutral molecule. With the help of …
monitor electronic excited-state dynamics occurring in a neutral molecule. With the help of …
[HTML][HTML] Excited state dynamics of CH2I2 and CH2BrI studied with UV pump VUV probe photoelectron spectroscopy
We compare the excited state dynamics of diiodomethane (CH 2 I 2) and
bromoiodomethane (CH 2 BrI) using time resolved photoelectron spectroscopy. A 4.65 eV …
bromoiodomethane (CH 2 BrI) using time resolved photoelectron spectroscopy. A 4.65 eV …
Acousto-optic modulator pulse-shaper compression of octave-spanning pulses from a stretched hollow-core fiber
We demonstrate spectral broadening and compression of amplified pulses from a titanium
sapphire laser system using an argon-filled stretched, hollow-core fiber and an acousto …
sapphire laser system using an argon-filled stretched, hollow-core fiber and an acousto …
Strong field molecular ionization in the impulsive limit: Freezing vibrations with short pulses
We study strong-field molecular ionization as a function of pulse duration. Experimental
measurements of the photoelectron yield for a number of molecules reveal competition …
measurements of the photoelectron yield for a number of molecules reveal competition …
Coherent control of internal conversion in strong-field molecular ionization
We demonstrate coherent control over internal conversion during strong-field molecular
ionization with shaped, few-cycle laser pulses. The control is driven by interference in …
ionization with shaped, few-cycle laser pulses. The control is driven by interference in …
Challenges in simulating light-induced processes in DNA
In this contribution, we give a perspective on the main challenges in performing theoretical
simulations of photoinduced phenomena within DNA and its molecular building blocks. We …
simulations of photoinduced phenomena within DNA and its molecular building blocks. We …