Related papers: Design and control of dynamical quantum processes …
Hybrid quantum systems exhibiting coupled optical, spin, and mechanical degrees of freedom can serve as a platform for sensing, or as a bus to mediate interactions between qubits with disparate energy scales. These systems are also creating…
Standard H2 optimal control of networked dynamic systems tend to become unscalable with network size. Structural constraints can be imposed on the design to counteract this problem albeit at the risk of making the solution non-convex. In…
We propose a novel type of quantum heat engine based on the ultrafast dynamical control of the magnetic properties of a nano-scale working body. The working principle relies on nonlinear phononics, an example for dynamical materials design.…
The p-type surface conductivity of H-terminated diamond (HD) has opened new path ways to develop diamond based electronic devices, photo-catalysts, chemical and bio-sensors. Herein, we report on the room temperature H2S detection behaviour…
An understanding of the CO$_2$ + H$_2$O hydration reaction is crucial for modeling the effects of ocean acidification, for enabling novel carbon storage solutions, and as a model process in the geosciences. While the mechanism of this…
A new dual plasma coating process to produce platinum-free catalysts for the oxygen reduction reaction in a fuel cell is introduced. The catalysts thus produced were analysed with various methods. Electrochemical characterisation was…
Ultra-wide bandgap and the absence of shallow dopants are the major challenges in realizing diamond based electronics. However, the surface functionalization offers an excellent alternative to tune electronic structure of diamonds. Herein,…
Realistic oxide materials are often semiconductors, in particular at elevated temperatures, and their surfaces contain undercoordiated atoms at structural defects such as steps and corners. Using hybrid density-functional theory and ab…
Efficient electro-catalytic water-splitting technologies require suitable catalysts for the oxygen evolution reaction (OER). The development of novel catalysts could benefit from the achievement of a complete understanding of the reaction…
Plastic waste entering the environment through landfilling or improper disposal poses substantial risks to ecosystems and human health. Photoreforming is emerging as a clean photocatalytic technology that degrades plastic waste to organic…
Recent studies of the dynamically assisted Schwinger effect have shown that particle production is significantly enhanced by a proper choice of the electric field. We demonstrate that optimal control theory provides a systematic means of…
Clusters of para-hydrogen (pH2) have been predicted to exhibit superfluid behavior, but direct observation of this phenomenon has been elusive. Combining experiments and theoretical simulations, we have determined the size evolution of the…
The Co$_3$O$_4$ spinel is an important material in oxidation catalysis. Its properties under catalytic conditions, i.e., at finite temperatures, can be studied by molecular dynamics simulations, which critically depend on an accurate…
Rotational transitions in molecular hydrogen collisions are computed. The two most recently developed potential energy surfaces for the H2-H2 system are used from the following works: 1) A.I. Boothroyd, P.G. Martin, W.J. Keogh, M.J.…
We apply advanced methods of control theory to open quantum systems and we determine finite-time processes which are optimal with respect to thermodynamic performances. General properties and necessary conditions characterizing optimal…
The effect of surface atom vibrations for H$_2$ scattering from a Cu(111) surface at different temperatures is being investigated for hydrogen molecules in their rovibrational ground state ($v$=0, $j$=0). We assume weakly correlated…
The desorption kinetics was modelled with the both interface- and surface reactions as rate-controlling steps. It has been shown analytically, that in the model of 'shrinking core' desorption, the finite hydride-decomposition-rate causes a…
We study the effect of temperature up to 1000K on the structure of dense molecular para-hydrogen and ortho-deuterium, using the path-integral Monte Carlo method. We find a structural phase transition from orientationally disordered…
Nonlinear optical frequency conversion, where optical fields interact with a nonlinear medium to generate new frequencies, is a key phenomenon in modern photonic systems. However, a major challenge with these techniques lies in the…
In this contribution, we investigate two coupled spins as a working substance of the quantum Stirling heat engine cycle. We propose an experimentally implementable scheme in which the cycle is driven by tuning the dipole-dipole interaction…