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This thesis describes a study of a cavity QED microlaser in which many atoms are present simultaneously and atom-cavity interaction is well-defined. The microlaser is found to display multiple thresholds analogous to first-order phase…
We propose a novel scheme for high fidelity photonic controlled phase gates using Rydberg blockade in an ensemble of atoms in an optical cavity. The gate operation is obtained by first storing a photonic pulse in the ensemble and then…
A promising approach to merge atomic systems with scalable photonics has emerged recently, which consists of trapping cold atoms near tapered nanofibers. Here, we describe a novel technique to achieve strong, coherent coupling between a…
The reactions of fullerene C60 with atomic fluorine have been studied by unrestricted broken spin-symmetry Hartree-Fock (UBS HF) approach implemented in semiempirical codes based on AM1 technique. The calculations were focused on a…
We use the approach of "transitionless quantum driving" proposed by Berry to construct shortcuts to the population transfer and the creation of maximal entanglement between two $\Lambda $-type atoms based on the cavity quantum electronic…
Computationally efficient and accurate quantum mechanical approximations to solve the many-electron Schr\"odinger equation are at the heart of computational materials science. In that respect the coupled cluster hierarchy of methods plays a…
Dynamic properties of chemical reactions and appropriate relationships for open chemical equilibrium are discussed in approach of the chemical dynamics. New way to calculate composition of chemical systems in open equilibrium, based on the…
Elucidating chemical reactivity in complex molecular assemblies of a few hundred atoms is, despite the remarkable progress in quantum chemistry, still a major challenge. Black-box search methods to find intermediates and transition-state…
Accurately modeling chemical reactions at the atomistic level requires high-level electronic structure theory due to the presence of unpaired electrons and the need to properly describe bond breaking and making energetics. Commonly used…
Cavity QED is a versatile tool to explore small scale quantum information processing. Within this setting, we describe a particular protocol for implementing a Toffoli gate with Rydberg atoms and a cavity field. Our scheme uses both…
Schemes to achieve strong coupling between mechanical modes of aluminum nitride microstructures and microwave cavity modes due to the piezoelectric effect are proposed. We show that the strong coupling regime is feasible for an on-chip…
We performed an experimental study of coupled optical cavity arrays in a photonic crystal platform. We find that the coupling between the cavities is significantly larger than the fabrication-induced disorder in the cavity frequencies.…
Chirality, the absence of mirror symmetry, is a fundamental molecular property with far-reaching consequences from chemistry to biology. Yet enantiosensitive optical responses are very weak. Here, we introduce a theoretical framework in…
An extensive characterization of high finesse optical cavities used in cavity QED experiments is described. Different techniques in the measurement of the loss and phase shifts associated with the mirror coatings are discussed and their…
We propose a scheme to realize the two-axis counter-twisting spin-squeezing Hamiltonian inside an optical cavity with the aid of phase-locked atom-photon coupling. By careful analysis and extensive simulation, we demonstrate that our scheme…
Photoluminescence of non-aromatic supramolecular chemical assemblies has attracted considerable attention in recent years due to its potential for use in molecular sensing and imaging technologies. The underlying structural origins, the…
Density functional theory based global geometry optimization has been used to demonstrate the crucial influence of the geometry of the catalytic cluster on the energy barriers for the CO oxidation reaction over Pd-based bimetallic…
Confining electromagnetic fields inside an optical cavity can enhance the light-matter coupling between quantum materials embedded inside the cavity and the confined photon fields. When the interaction between the matter and the photon…
In the present study, a prototypical reaction in biochemistry involving a well-known bio-molecule called imidazole (C3H4N2) and its known affinity towards transition metals (such as Co, Ni, Cu, Fe, etc.) has been used to illustrate and…
Interactions between atoms and light in optical cavities provide a means of investigating collective (many-body) quantum physics in controlled environments. Such ensembles of atoms in cavities have been proposed for studying collective…