Related papers: Spatially-controlled complex molecules and their a…
Conventional approaches for controlling open quantum systems use coherent control which affects the system's evolution through the Hamiltonian part of the dynamics. Such control, although being extremely efficient for a large variety of…
In Coulomb 3-body problems, configurations of close proximity of the particles are classically unstable. In confined systems they might however exist as excited quantum states. Quantum control of such states by time changing electromagnetic…
All-atom simulations can provide molecular-level insights into the dynamics of gas-phase, condensed-phase and surface processes. One important requirement is a sufficiently realistic and detailed description of the underlying intermolecular…
Through the analysis of density of states (DOS), we study two different kinds of cyclic molecules, a sodium atomic circle and a Polycyclic Aromatic Hydrocarbons (PAH) molecule respectively under an external magnetic field. The results of…
Information science is entering into a new era in which certain subtleties of quantum mechanics enables large enhancements in computational efficiency and communication security. Naturally, precise control of quantum systems required for…
Precise control and study of molecules is challenging due to the variety of internal degrees of freedom and local coordinates that are typically not controlled in an experiment. Employing quantum gas microscopy to position and resolve the…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
We survey recent results on controlled particle systems. The control aspect introduces new challenges in the discussion of properties and suitable mean field limits. Some of the aspects are highlighted in a detailed discussion of a…
Extensions and improvements of empirical force fields are discussed in view of applications to computational vibrational spectroscopy and reactive molecular dynamics simulations. Particular focus is on quantitative studies which make…
Exploration of a new ultrafast-ultrasmall frontier in atomic and molecular physics has begun. Not only is is possible to control outer-shell electron dynamics with intense ultrafast optical lasers, but now control of inner-shell processes…
A strong inhomogeneous static electric field is used to spatially disperse a supersonic beam of polar molecules, according to their quantum state. We show that the molecules residing in the lowest-lying rotational states can be selected and…
Along with recent progress in structural biology and genome biology, structural dynamics of molecular systems including nucleic acids has attracted attention in the context of gene regulation. Structure-function relationship is an important…
A quantum system subject to external fields is said to be controllable if these fields can be adjusted to guide the state vector to a desired destination in the state space of the system. Fundamental results on controllability are reviewed…
We examine theoretically a new idea for spatial and temporal control of chemical reactions. When chemical reactions take place in a mixture of solvents, an external electric field can alter the local mixture composition thereby accelerating…
The most important factor for quantitative results in molecular dynamics simulation are well developed force fields and models. In the present work, the development of new models and the usage of force fields from the literature in large…
Numerous lines of experimental, numerical and analytical evidence indicate that it is surprisingly easy to locate optimal controls steering quantum dynamical systems to desired objectives. This has enabled the control of complex quantum…
Technologies for manipulating single atoms have advanced drastically in the past decades. Due to their excellent controllability of internal states, atoms serve as one of the ideal platforms as quantum systems. One major research direction…
Coherent control of quantum transitions -- indispensable in quantum technology -- generally relies on the interaction of quantum systems with electromagnetic radiation. Here, we theoretically demonstrate that the non-radiative…
I revisit the ideas underlying dynamical decoupling methods within the framework of quantum information processing, and examine their potential for direct implementations in terms of encoded rather than physical degrees of freedom. The…
Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not in general applicable to soft, chemically inhomogeneous systems. The…