Quantum Physics Commons^™

Lorentz Invariance And Quantum Coordination: A Neo-Aristotelian Framework For Entanglement And Relativity, Angel Rafael Sosa Muniz

Open Access Theses & Dissertations

The phenomenon of quantum entanglement has been at the center of heated debates among physicists and philosophers since the dawn of the quantum era. The early discussions initiated by Einstein, Podolsky, and Rosen—regarding potential violations of the Principle of Relativity by entangled particles, expressed in the so-called “EPR Paradox”—ultimately culminated in the demonstration of Bell’s theorem and its violations. Since then, philosophers of science and physicists have developed multiple proposals attempting to account for the ontological status of quantum formalism and its possible tension with relativistic principles. This thesis contributes to these efforts by advancing a Neo-Aristotelian ontological framework inspired …

Quantum Circuit Optimization Leveraging Multi-Qubit Exchange Interactions In Spin Qubits, Miguel Gonzalo Rodriguez

Open Access Theses & Dissertations

This thesis looks into how multi-qubit exchange interactions can be used to improve quantumcircuits in semiconductor quantum devices. Pairwise interactions between qubits are a common tenet of traditional quantum computing paradigms, although they can impose complexity and depth constraints on circuits. In order to improve the efficiency and scalability of quantum circuits, this research explores the theoretical underpinnings and practical uses of multi-qubit interactions. A thorough theoretical framework is formulated, outlining the mathematical equivalence of a unitary matrix representing interactions between multiple qubits. We obtain the timeevolution operator by analyzing the Hamiltonian of three spin-1/2 particles. A number of quantum …

Two-Step Single Qubit Gates For Superconducting Qubits, Edward Takyi

Open Access Theses & Dissertations

Why quantum information processing? Contemporary manipulation and transmission of information is executed through physical machines (computers, routers, scanners, etc.) in which Classical Mechanics is used to describe the embodiment and transformation of information. However, the physical theory of the world is not Classical Mechanics. And so, there is no reason to suppose that machines following the laws of Classical Mechanics would have the same computational power like quantum machines. Quantum computers would break the rules of classical computers and they would be able solve problems that are intractable on conventional supercomputers.

In order to fabricate quantum computers and make significant …

Optimization Of Quantum Circuits Using Spin Bus Multiqubit Gates For Quantum Dots, Miguel Gonzalo Rodriguez

Open Access Theses & Dissertations

The current conventional method for designing quantum circuits is to employ a number of single- and two-qubit gates, which often necessitate a lengthy sequence, imposing severe constraints on quantum coherence and quantum circuit complexity. Coupling multiple spin qubits to a common spin chain can result in a generically multiqubit gate. It is demonstrated that the multiqubit gate can substantially reduce the depth of quantum circuits and establish multiqubit entanglement considerably more quickly.

Density Functional Calculations On Single Molecular (1d) And Van Der Waals Bi -Layered (2d) Magnets., Md Shamsul Alam

Open Access Theses & Dissertations

Low-dimensional magnetic materials show novel properties that is not seen in bulk magnets. The weak interactions such as spin-orbit interactions, electron correlation, van der Waals interaction in case magnetic bi-layers, play an important role in determining the properties of the system. Using density functional theory, we computationally investigated two categories of magnetic material- 1: Single Molecular Magnets (SMM) 2: Van der Waals layered Cr-Halide magnets. We used different classes of density functionals to examine the spin ordering and magnetic anisotropy barriers in several single molecule magnets - Mn12, Co4, Ni4, V15. We find that the magnetic anisotropy barrier significantly depends …

Development And Assesment Of Local Scaled Self-Interaction Corrected Density Functional Method With Simple Scaling Factor, Selim Romero

Open Access Theses & Dissertations

The Hohenberg-Kohn-Sham (HKS) density functional theory (DFT) is widely used to compute electronic structures of atoms, molecules, and solids. It is an exact theory in which ground state electron density plays the role of basic variable, same as the wavefunction does in quantum mechanics. The total ground state energy is a functional of electron density. The practical application of HKS DFT require approximation to the exchange-correlation energy functional. Many density functional approximations (DFAs) with various degree of sophistication and complexities have been developed. Depending on the complexity, these functionals include electron density, density gradients, density Laplacian, kinetic energy densities, Hartree-Fock …

Some Fermi-Lowdin Orbital Self-Interaction Correction Studies On Atomic Systems, Christopher Alexis Ibarra

Open Access Theses & Dissertations

Density Function Theory (DFT) is a popular quantum chemistry calculation method with many appeals but also deficiencies. Many modification and additions to the method have been made over the years, such as self-interaction corrections and new density functional approximations. We review here the theoretical background needed for a basic understanding of quantum chemistry calculations. In addition, we present the quantum chemistry calculation method used in this paper called Fermi-Lowdin Self-Interaction Correction (FLOSIC), including the base code it was implemented on, the Naval Research Laboratory Molecular Orbital Library (NRLMOL) Code, and the resulting modified code simply called FLOSIC. Furthermore, we explore …

Complex Gleason Measures And The Nemytsky Operator, Miguel Angel Valles

Open Access Theses & Dissertations

This Thesis is devoted to generalize previous results on Gleason measures

to complex Gleason measures, and to develop a functional calculus

for complex measures in relation to the Nemytsky operator. Furthermore

we present the interpretation of our results in the field of quantum

mechanics, some concrete examples and further extensions of several

theorems.

Scalability Improvements To Nrlmol For Dft Calculations Of Large Molecules, Carlos Manuel Diaz

Open Access Theses & Dissertations

Advances in high performance computing (HPC) have provided a way to treat large, computationally demanding tasks using thousands of processors. With the development of more powerful HPC architectures, the need to create efficient and scalable code has grown more important. Electronic structure calculations are valuable in understanding experimental observations and are routinely used for new materials predictions. For the electronic structure calculations, the memory and computation time are proportional to the number of atoms. Memory requirements for these calculations scale as N2, where N is the number of atoms. While the recent advances in HPC offer platforms with large numbers …

In Quantum Physics, Free Will Leads To Nonconservation Of Energy, Vladik Kreinovich

Departmental Technical Reports (CS)

Modern physical theories are deterministic in the sense that once we know the current state of the world, we can, in principle, predict all the future states. This was true for classical (pre-quantum) theories, this is true for modern quantum physics. On the other hand, we all know that we can make decision that change the state of the world -- even if, for most of us, a little bit. This intuitive idea of free will permeates all our life, all our activities -- and it seems to contradict the determinism of modern physics. It is therefore desirable to incorporate …

Light Vs. Quantum Gravity, Irving Martinez^*

COURI Symposium Abstracts, Spring 2012

No abstract provided.

Quantum Mechanical Model Of The Hydrogen Atom, Andres Ortiz^, Snehanshu Saha*

COURI Symposium Abstracts, Spring 2011

The quantum mechanical wave function of an object under a certain potential is determined by the Schrödinger equation. It is known that the latter equation can be solved analytically only for a finite number of distinct potentials, being a Coulomb potential one of them. For an electron in a hydrogen atom, we analytically find the angular parts of its wave function by the usual method. Under the appropriate change of variable, the radial part of the equation is turned into a Legendre differential equation whose solutions are Legendre polynomials. Using finite difference method and shooting method taking into account physically …

Modeling Of Solvent Electrostatic Effects, Jose A. Rodriguez Lopez^, Luis Basurto, Tunna Baruah*

COURI Symposium Abstracts, Spring 2011

The photo-induced charge-transfer process is fundamental to light harvesting in organic donor-acceptor systems. The process is often enhanced when the system is in a polar solvent. The aim of this project is to create a simple, discrete model containing dipoles that can explain the solvent effects, where only dipole-dipole solvent interaction is considered. The goal is to reduce computational complexities and cost. We create a grid of solvents (water) which mimic the solvent’s density; and put one solute (a light-harvesting triad of β-carotene, porphyrin, and C60) at the grid’s center, keeping the grid points 1.5 times the Van der Waal …

On Relational Quantum Mechanics, Oscar Acosta

Open Access Theses & Dissertations

A problem facing quantum mechanics is that there are a number of views or interpretations available that purport to 'explain' quantum mechanics. In this paper I discuss and analyze the view of relational quantum mechanics by Carlo Rovelli in the context of theoretical underdetermination. I will show that even though Rovelli offers a view that consolidates some of the aspects of competing theories it still falls short of breaking out of the theoretical underdetermination. The criteria that I have used to consider a theory successful in this context is one that increases the predictive output of quantum theory. Lacking an …