13 citations · 34 across the 8 of their papers we have counts for
8 papers
Ab Initio Simulation of Femtosecond Time-Resolved Multi-Pulse Spectroscopies applied to the HeptazineHO Complex
Sebastian V. Pios, Maxim F. Gelin, Wolfgang Domcke +1
In multi-dimensional time-resolved spectroscopic experiments, multiple (more than two) short laser pulses with variable pulse delay times are employed for the time-resolved explora…
Simulation of Pump-Push Molecular Dynamics in the Heptazine-H2O Complex
Sebastian V. Pios, Maxim F. Gelin, Wolfgang Domcke +1
Pump-push-probe spectroscopy was employed for the exploration of charge-separation processes in organic photovoltaic blends as well as for proton-coupled electron-transfer (PCET) r…
Imaging the Photochemistry of the Hydrogen-Bonded Heptazine-Water Complex with Femtosecond Time-Resolved Spectroscopy: A Computational Study
Sebastian V. Pios, Maxim F. Gelin, Wolfgang Domcke +1
Graphitic carbon nitride (-CN) has attracted vast interest as a promising inexpensive metal-free photocatalyst for water splitting with solar photons. The heptazine (Hz) molecul…
One-dimensional transport in hybrid metal-semiconductor nanotube systems
M. F. Gelin, I. V. Bondarev
We develop an electron transport theory for the hybrid system of a semiconducting carbon nanotube that encapsulates a one-atom-thick metallic wire. The theory predicts Fano resonan…
Calculation of semiclassical free energy differences along non-equilibrium classical trajectories
M. F. Gelin, D. S. Kosov
We have derived several relations, which allow the evaluation of the system free energy changes in the leading order in along classically generated trajectories. The re…
Microscopic origin of the jump diffusion model
M. F. Gelin, D. S. Kosov
The present paper is aimed at studying the microscopic origin of the jump diffusion. Starting from the -body Liouville equation and making only the assumption that molecular reo…