Related papers: Selectivity in single-molecule reactions by tip-in…
The behavior of small samples in very short and intense hard x-ray pulses is studied by molecular dynamics type calculations. The main emphasis is put on the effect of various tamper layers about the sample. This is discussed from the point…
We study a stochastic two-species chemical reaction system with two mechanisms. One mechanism consists of chemical interactions which govern the overall drift of species amounts in the system; the other mechanism consists of resampling,…
Autocatalytic reaction system with a small number of molecules is studied numerically by stochastic particle simulations. A novel state due to fluctuation and discreteness in molecular numbers is found, characterized as extinction of…
Selective field ionization is used to determine the state or distribution of states to which a Rydberg atom is excited. By evolving a small perturbation to the ramped electric field using a genetic algorithm, the shape of the time-resolved…
Processes involving multi-input multi-step reaction cascades are used in developing novel biosensing, biocomputing, and decision making systems. In various applications different changes in responses of the constituent processing steps…
In metal/oxide heterostructures, rich chemical, electronic, magnetic and mechanical properties can emerge from interfacial chemistry and structure. The possibility to dynamically control interface characteristics with an electric field…
Rational control over the periodic arrangement of particles by means of external stimuli is a technologically important aspect of colloidal science with important physical underpinnings. Here, a robust structural control of particle…
Here we review a universal model for chirally induced spin-selectivity (CISS) as a standalone effect occurring in chiral molecules. We tie together the results of forward scattering in the gas phase to the results for photoelectrons in…
Electrical currents at the surface or edge of a topological insulator are intrinsically spin-polarized. We show that such surface/edge currents can be used to switch the orientation of a molecular magnet weakly coupled to the surface or…
We present an atomistic study of heterogeneous nucleation in Ni employing transition path sampling, which reveals a template precursor-mediated mechanism of crystallization. Most notably, we find that the ability of tiny templates to modify…
The scanning metallic tip of a scanning force microscope was coupled capacitively to electrons confined in a lithographically defined gate-tunable quantum dot at a temperature of 300 mK. Single electrons were made to hop on or off the dot…
Molecular center-of-mass motion is taken into account in the theory of coherent control of nuclear spin isomers of molecules. It is shown that infrared radiation resonant to the molecular rovibrational transition can substantially enrich…
Our computer simulations have shown that the large-scale conformational dynamics of a short oligomeric fragment of thermoresponsive polymers resemble the mechanical movement of nonlinear bistable systems. The oligomers demonstrate…
Efficient production of short-lived radioactive isotopes in inverse reaction kinematics is an important technique for various applications. It is particularly interesting when the isotope of interest is only a few nucleons away from a…
The structure and quantum state of the reactants have a profound impact on the kinetics and dynamics of chemical reactions. Over the past years, significant advances have been made in the control and manipulation of molecules with external…
The dependence of macroscopic detonation properties of a two-dimensional diatomic (AB) molecular system on the fundamental properties of the molecule were investigated. This includes examining the detonation velocity, reaction zone…
We show the possibility to periodically modulate refractive index in atomic medium in space or/and time while simultaneously keeping vanishing absorption/gain. Such modulation is based on periodic resonant enhancement of refractive index,…
In this perspective, the chemical physics of biological electron transfer are considered in relation to artificial electrocatalyst development. Nature's ability to access a wide range of chemical reactivities through a narrow set of…
Many natural and artificial reactions including photosynthesis or photopolymerization are initiated by stimulating organic molecules into an excited state, which enables new reaction paths. Controlling light-matter interaction can influence…
Recent experiments have demonstrated the efficacy of chiral helically shaped molecules in polarizing the scattered electron spin, an effect termed as chiral-induced spin selectivity (CISS). Here we solve a simple tight-binding model for…