We investigate a fully quantum mechanical spin model for the detection of a moving particle. This model, developed in earlier work, is based on a collection of spins at fixed locations and in a metastable state, with the particle locally enhancing the coupling of the spins to an environment of bosons. The appearance of bosons from particular spins signals the presence of the particle at the spi...

Title of dissertation: CONTROL AND VERIFICATION OF QUANTUM MECHANICAL SYSTEMS Dvir Kafri, Doctor of Philosophy, 2015 Dissertation directed by: Professor Jacob Taylor Department of Physics Quantum information science uses the distinguishing features of quantum mechanics for novel information processing tasks, ranging from metrology to computation. This manuscript explores multiple topics in this...

Full geometry optimizations using the PM3, AMl, 3-21G*/HF and 6-31G*/HF levels of theory were conducted on the syn and anti conformations of cyclic 3’,5’-adenosine monophosphate (CAMP). Comparison of the anti crystal structures with the semiempirical and ab initio results revealed that the ab initio results agree well with the experimental results. The results of semiempirical calculations are ...

Halogen bonding is a rather new but promising type of interaction for the drug discovery process. It is rather directional and involves an electron donor as binding partner. Employing quantum chemical calculations [1-3], we explore the applicability of halogen bonds in molecular design with respect to halogen-enriched fragment libraries (HEFlibs) [4]. Computational studies on protein-ligand com...

Vicinal proton-proton NMR couplings and ab initio quantum mechanics have been used to investigate solvent effects on conformational equilibria of butanedinitrile. The trans and gauche conformations are about equally favored at room temperature in solvents of low dielectric constant while the equilibrium is essentially the statistical proportions of one-third trans and two-thirds gauche in water...

Silicon may be unable to continue serving as the backbone for future technologies. The search for silicon replacements has led to the investigation of thin 2-D materials. Some of these materials are single layers of group VI transition metal dichalcogenides. Through mechanical exfoliation, these materials can be isolated and used to construct monolayer field effect transistors. A transfer proce...

The experimental investigation of elementary chemical reactions is presently in a very exciting period. The advance in modern microscopic experimental methods, especially crossed molecular beams and laser technology, has made it possible to explore the dynamics and mechanisms of important elementary chemical reactions in great detail. Through the continued accumulation of detailed and reliable ...

Radiation pressure has recently been used to effectively couple the quantum motion of mechanical elements to the fields of optical or microwave light. Integration of all three degrees of freedom-mechanical, optical and microwave-would enable a quantum interconnect between microwave and optical quantum systems. We present a platform based on silicon nitride nanomembranes for integrating supercon...