相关论文: A quantum informational approach for dissecting ch…
A new computational scheme to analyze electron transfer (ET) pathways in large biomolecules is presented with applications to ETs in bacterial photosynthetic reaction center. It consists of a linear combination of fragment molecular…
We devise and examine two procrustean entanglement concentration schemes using Quantum Non- Demolition (QND) interaction Hamiltonians in the continuous variable regime, applicable for light, for atomic ensembles or in a hybrid setting. We…
This thesis is a multidisciplinary contribution to the information theory of single-particle Coulomb systems in their relativistic and not relativistic description, to the theory of special functions of mathematical physics with the…
An historical overview is given of the relevant steps that allowed the genesis of the quantum theory of the chemical bond, starting from the appearance of the new quantum mechanics and following later developments till approximately 1931.…
As a hallmark of pure quantum effect, quantum entanglement has provided unconventional routes to condensed matter systems. Here, from the perspective of quantum entanglement, we disclose exotic quantum physics in non-Hermitian…
In a double-slit experiment with a bipartite system, the visibility of interference fringes depends on the availability of which-way information. Here, we report the formation of a Bell-like state of photoelectron and residual ion in the…
With progress towards more compact quantum computing architectures, fundamental questions regarding the entanglement of indistinguishable particles need to be addressed. In a solid state device, this quest is naturally connected to the…
Accurate identification of chemical species and reaction pathways from molecular dynamics (MD) trajectories is a prerequisite for deriving predictive chemical-kinetic models and for mechanistic discovery in reactive systems. However,…
Chemical bonding is a ubiquitous concept in chemistry and it provides a common basis for experimental and theoretical chemists to explain and predict the structure, stability and reactivity of chemical species. Among others, the Energy…
We study the macroscopic entanglement properties of a low dimensional quantum spin system by investigating its magnetic properties at low temperatures and high magnetic fields. The tempera- ture and magnetic field dependence of entanglement…
Many quantum chemical similarity measures have been derived and substantiated by applying concepts and quantities from information theory to the electron density. To justify the use of information theory, the electron density is usually…
An ab initio study of the electronic and spin configuration for the iron ion in the active center of the human hemoglobin molecule is presented. It is well known that the iron ion, being surrounded by the porphyrin ring and the ligands,…
Thermodynamic principles governing energy and information are important tools for a deeper understanding and better control of quantum systems. In this work, we experimentally investigate the interplay of the thermodynamic costs and…
Entanglement, a defining feature of quantum mechanics, arises naturally from interactions between molecular systems. Yet the precise nature and quantification of entanglement in the products of molecular collisions and reactions remain…
Iron-sulfur clusters conduct a wide variety of biochemical reactions that are conserved across all domains of life. The hyperfine structure of reactive ligands of these clusters can be studied experimentally and theoretically by means of…
The study of electronic transitions within a molecule connected to the absorption or emission of light is a common task in the process of the design of new materials. The transitions are complex quantum mechanical processes and a detailed…
The recent developments of electron quantum optics in quantum Hall edge channels have given us new ways to probe the behavior of electrons in quantum conductors. It has brought new quantities called electronic coherences under the…
Calculating the observable properties of chemical systems is often classically intractable and is widely viewed as a promising application of quantum information processing. Yet one of the most common and important chemical systems in…
The role of proton tunneling in biological catalysis is investigated here within the frameworks of quantum information theory and thermodynamics. We consider the quantum correlations generated through two hydrogen bonds between a substrate…
We investigate the generation of an entangled electron pair emerging from a system composed of two quantum dots attached to a superconductor Cooper pair beam splitter. We take into account three processes: Crossed Andreev Reflection,…