Femtosecond nonlinear spectroscopy is the main tool for the time-resolved detection of
photophysical and photochemical processes. Since most systems of chemical interest are …

Due to their amenability to highly scalable fabrication and steadily improving efficiencies,
organic photovoltaics (OPVs) offer great potential as an alternative to carbon-based fuel …

We report the first nonadiabatic molecular dynamics study based on the exact factorization
of the electron–nuclear wave function. Our approach (a coupled-trajectory mixed quantum …

We present a novel quantum-classical approach to nonadiabatic dynamics, deduced from
the coupled electronic and nuclear equations in the framework of the exact factorization of …

Multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory is a rigorous and
powerful method to simulate quantum dynamics in complex many-body systems. This …

The coupled quantum dynamics of excitonic and vibrational degrees of freedom is
investigated for high-dimensional models of the Fenna-Matthews-Olson complex. This …

The multiconfiguration time-dependent Hartree (MCTDH) method and its multilayer
extension (ML-MCTDH) are powerful algorithms for the efficient computation of nuclear …

Singlet fission (SF) is supposed to potentially improve the efficiency of solar energy
conversion in organic photovoltaic systems. The multilayer multiconfigurational time …

Employing the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method in
conjunction with the multistate multimode vibronic coupling Hamiltonian model, we perform …

An approach for the construction of vibronically coupled potential energy surfaces
describing reactive collisions is proposed. The scheme utilizes neural networks to obtain the …