As we begin to reach the limits of classical computing, quantum computing has emerged as
a technology that has captured the imagination of the scientific world. While for many years …

The quantum nature of electrons and nuclei is manifested in countless biological events
including the rearrangements of electrons in biochemical reactions, electron and proton …

The first book dedicated to this new and powerful computational method begins with a
comprehensive description of MCTDH and its theoretical background. There then follows a …

The far-infrared dielectric function of a wide range of organic molecules is dominated by
vibrations involving a substantial fraction of the atoms forming the molecule and motion …

Femtosecond stimulated Raman spectroscopy (FSRS) is a new ultrafast spectroscopic
technique that provides vibrational structural information with high temporal (50-fs) and …

The simulation of physical systems requires a simplified, hierarchical approach which
models each level from the atomistic to the macroscopic scale. From quantum mechanics to …

The MCTDH method has been used successfully to treat the non-adiabatic dynamics of a
number of systems. These are hard problems due to the number of modes that need to be …

Low-frequency torsional vibration modes of the conjugated polyene chain of the biologically
important chromophore retinal are of major relevance when studying its photoisomerization …

Light-driven molecular motors convert light into mechanical energy through excited-state
reactions. Unidirectional rotary molecular motors based on chiral overcrowded alkenes …

The recent biotechnological progress has allowed life scientists and physicians to access an
unprecedented, massive amount of data at all levels (molecular, supramolecular, cellular …