Open Access. Powered by Scholars. Published by Universities.®

Quantum Physics Commons

Open Access. Powered by Scholars. Published by Universities.®

Engineering

Institution
Keyword
Publication Year
Publication
Publication Type

Articles 31 - 60 of 112

Full-Text Articles in Quantum Physics

Gate-Controlled Quantum Dots In Two-Dimensional Tungsten Diselenide And One-Dimensional Tellurium Nanowires, Shiva Davari Dolatabadi Dec 2022

Gate-Controlled Quantum Dots In Two-Dimensional Tungsten Diselenide And One-Dimensional Tellurium Nanowires, Shiva Davari Dolatabadi

Graduate Theses and Dissertations

This work focuses on the investigation of gate-defined quantum dots in two-dimensional transition metal dichalcogenide tungsten diselenide (WSe2) as a means to unravel mesoscopic physical phenomena such as valley-contrasting physics in WSe2 flakes and its potential application as qubit, as well as realizing gate-controlled quantum dots based on elementaltellurium nanostructures which may unlock the topological nature of the host material carriers such as Weyl states in tellurium nanowires.The fabrication and characterization of gate-defined hole quantum dots in monolayer and bilayer WSe2 are reported. The gate electrodes in the device design are located above and below the WSe2 nanoflakes to accumulate …


Compilation Optimizations To Enhance Resilience Of Big Data Programs And Quantum Processors, Travis D. Lecompte Nov 2022

Compilation Optimizations To Enhance Resilience Of Big Data Programs And Quantum Processors, Travis D. Lecompte

LSU Doctoral Dissertations

Modern computers can experience a variety of transient errors due to the surrounding environment, known as soft faults. Although the frequency of these faults is low enough to not be noticeable on personal computers, they become a considerable concern during large-scale distributed computations or systems in more vulnerable environments like satellites. These faults occur as a bit flip of some value in a register, operation, or memory during execution. They surface as either program crashes, hangs, or silent data corruption (SDC), each of which can waste time, money, and resources. Hardware methods, such as shielding or error correcting memory (ECM), …


Atomic Gradiometry Based On The Interference Of Microwave Optical Sidebands, Kaleb L. Campbell Jul 2022

Atomic Gradiometry Based On The Interference Of Microwave Optical Sidebands, Kaleb L. Campbell

Optical Science and Engineering ETDs

We describe a novel pulsed magnetic gradiometer based on the optical interference of sidebands generated using two spatially separated alkali vapor cells. The sidebands are produced with high efficiency using parametric frequency conversion of a probe beam interacting with Rubiduim 87 atoms in a coherent superposition of magnetically sensitive hyperfine ground states. First, experimental evidence of the sideband process is described for both steady-state and pulsed operation. Then, a theoretical framework is developed that accurately models sideband generation based on density matrix formalism. The gradiometer is then constructed using two spatially separated vapor cells, and a beat-note is generated. The …


Characterization Of Electrophoretic Deposited Zinc Oxide Nanopartices For The Fabrication Of Next-Generation Nanoscale Electronic Applications, Fawwaz Abduh A. Hazzazi Jul 2022

Characterization Of Electrophoretic Deposited Zinc Oxide Nanopartices For The Fabrication Of Next-Generation Nanoscale Electronic Applications, Fawwaz Abduh A. Hazzazi

LSU Doctoral Dissertations

Several reports state that it is crucial to analyze nanoscale semiconductor materials and devices with potential benefits to meet the need for next-generation nanoelectronics, bio, and nanosensors. The progress in the electronics field is as significant now, with modern technology constantly evolving and a greater focus on more efficient robust optoelectronic applications. This dissertation focuses on the study and examination of the practicality of Electrophoretic Deposition (EPD) of zinc oxide (ZnO) nanoparticles (NPs) for use in semiconductor applications.

The feasibility of several synthesized electrolytes, with and without surfactants and APTES surface functionalization, is discussed. The primary objective of this study …


Methodologies For Quantum Circuit And Algorithm Design At Low And High Levels, Edison Tsai Jun 2022

Methodologies For Quantum Circuit And Algorithm Design At Low And High Levels, Edison Tsai

Dissertations and Theses

Although the concept of quantum computing has existed for decades, the technology needed to successfully implement a quantum computing system has not yet reached the level of sophistication, reliability, and scalability necessary for commercial viability until very recently. Significant progress on this front was made in the past few years, with IBM planning to create a 1000-qubit chip by the end of 2023, and Google already claiming to have achieved quantum supremacy. Other major industry players such as Intel and Microsoft have also invested significant amounts of resources into quantum computing research.

Any viable computing system requires both hardware and …


Towards A Cross-Layer Coupled Design Framework For Big Data Workflows, Qianwen Ye May 2022

Towards A Cross-Layer Coupled Design Framework For Big Data Workflows, Qianwen Ye

Dissertations

The processing and analysis of big data increasingly rely on workflow technologies for knowledge discovery and scientific innovation. The execution of such workflows goes far beyond the capability and capacity of single computers and is now commonly supported on reliable and scalable data storage and analysis platforms in distributed environments, such as the Hadoop ecosystem. Workflow performance largely depends on how big data systems are configured and used. For example, the makespan of a big data workflow is affected by multiple layers of big data systems, including the parallel computing engine it runs on, the resource manager that orchestrates various …


Crystal Growth And Property Tuning Of Layered Magnetic Topological Semimetals, Krishna Pandey May 2022

Crystal Growth And Property Tuning Of Layered Magnetic Topological Semimetals, Krishna Pandey

Graduate Theses and Dissertations

The demand for energy-efficient devices has been growing rapidly due to the need for data-driven technologies and the global energy crisis. As device size approaches the atomic scale, the miniaturization of electronic devices may stop in the near future unless fundamentally new materials or device concepts are developed. The emergent topological materials with exotic properties show remarkable robustness against crystal lattice defects, which are promising for next-generation technology. These materials host exotic properties such as high mobility, large magnetoresistance, chiral anomaly, and surface Fermi arcs, etc. Among various topological materials, the ZrSiS-family materials exhibit two types of Dirac states, which …


Photonics Of Time-Varying Media, Emanuele Galiffi, Romain Tirole, Shixiong Yin, Huanan Li, Stefano Vezzoli, Paloma A. Huidobro, Mário G. Silveirinha, Riccardo Sapienza, Andrea Alù, J. B. Pendry Jan 2022

Photonics Of Time-Varying Media, Emanuele Galiffi, Romain Tirole, Shixiong Yin, Huanan Li, Stefano Vezzoli, Paloma A. Huidobro, Mário G. Silveirinha, Riccardo Sapienza, Andrea Alù, J. B. Pendry

Advanced Science Research Center

Time-varying media have recently emerged as a new paradigm for wave manipulation, due to the synergy between the discovery of highly nonlinear materials, such as epsilon-near-zero materials, and the quest for wave applications, such as magnet-free nonreciprocity, multimode light shaping, and ultrafast switching. In this review, we provide a comprehensive discussion of the recent progress achieved with photonic metamaterials whose properties stem from their modulation in time. We review the basic concepts underpinning temporal switching and its relation with spatial scattering and deploy the resulting insight to review photonic time-crystals and their emergent research avenues, such as topological and non-Hermitian …


Moiré-Driven Topological Transitions And Extremeanisotropy In Elastic Metasurfaces, Simon Yves, Matheus Inguaggiato Nora Nora Rosa, Mohit Gupta, Massimo Ruzzene, Andrea Alù Jan 2022

Moiré-Driven Topological Transitions And Extremeanisotropy In Elastic Metasurfaces, Simon Yves, Matheus Inguaggiato Nora Nora Rosa, Mohit Gupta, Massimo Ruzzene, Andrea Alù

Advanced Science Research Center

The twist angle between a pair of stacked 2D materials has been recently shown to control remarkable phenomena, including the emergence of flat-band superconductivity in twisted graphene bilayers, of higher-order topological phases in twisted moiré superlattices, and of topological polaritons in twisted hyperbolic metasurfaces. These discoveries, at the foundations of the emergent field of twistronics, have so far been mostly limited to explorations in atomically thin condensed matter and photonic systems, with limitations on the degree of control over geometry and twist angle, and inherent challenges in the fabrication of carefully engineered stacked multilayers. Here, this work extends twistronics to …


Effects Of Vacancies And Electron Temperature On The Electron Phonon Coupling In Cubic Silicon Carbide And Their Connection To The Inelastic Thermal Spike, Salah Al-Smairat Jan 2022

Effects Of Vacancies And Electron Temperature On The Electron Phonon Coupling In Cubic Silicon Carbide And Their Connection To The Inelastic Thermal Spike, Salah Al-Smairat

Doctoral Dissertations

“The electron-phonon interaction is an important interaction in many solids as it influences transport phenomena and related quantities such as the electrical and thermal conductivities, especially in nuclear and space applications. The importance of the electron-phonon interaction in primary damage production in 3C-SiC is the subject of this research.

The electron-phonon coupling factor was calculated using a hybrid Density Functional Perturbation Theory - Classical Electron Gas model. The coupling factor was calculated as a function of electron temperature in pristine and defective 3C-SiC, and relaxed defective cells. The electron-phonon coupling is found to depend strongly on the electronic temperature and …


Intracavity Phase Interferometry Based Fiber Sensors, Luke Jameson Horstman Dec 2021

Intracavity Phase Interferometry Based Fiber Sensors, Luke Jameson Horstman

Optical Science and Engineering ETDs

Intracavity Phase Interferometry (IPI) is a detection technique that exploits the inherent sensitivity of a laser's frequency to the parameters of its cavity. Intracavity interferometry is orders of magnitude more sensitive than its extracavity alternatives. This dissertation improves on previous free-space proof-of-concept designs. By implementing the technique in fiber optics, using optical parametric oscillation, and investigating non-Hermitian quantum mechanics and dispersion tailoring enhancement techniques, IPI has become more applicable and sensitive. Ring and linear IPI configurations were realized in this work, both operating as bidirectional fiber optical parametric oscillators. The benefit of using externally pumped synchronous optical parametric oscillation is …


Quantum State Estimation And Tracking For Superconducting Processors Using Machine Learning, Shiva Lotfallahzadeh Barzili Dec 2021

Quantum State Estimation And Tracking For Superconducting Processors Using Machine Learning, Shiva Lotfallahzadeh Barzili

Computational and Data Sciences (PhD) Dissertations

Quantum technology has been rapidly growing; in particular, the experiments that have been performed with superconducting qubits and circuit QED have allowed us to explore the light-matter interaction at its most fundamental level. The study of coherent dynamics between two-level systems and resonator modes can provide insight into fundamental aspects of quantum physics, such as how the state of a system evolves while being continuously observed. To study such an evolving quantum system, experimenters need to verify the accuracy of state preparation and control since quantum systems are very fragile and sensitive to environmental disturbance. In this thesis, I look …


Hybrid Two Dimensional Quantum Devices, Joshua Patrick Thompson Dec 2021

Hybrid Two Dimensional Quantum Devices, Joshua Patrick Thompson

Graduate Theses and Dissertations

This thesis describes measurements on hybrid material systems involving two dimensional (2D) materials and phenomena along with the development of a small, hermetically sealed cell. The hermetic cell is designed to assist with analyzing sensitive 2D materials outside of an inert environment. When working with van der Waals materials that are especially sensitive to oxygen or water, it can be difficult to identify usable thin flakes without exposing them to air. To help preserve materials for analysis in air, a capsule was designed that isolates the material in an inert environment. Although the capsule is hermetically sealed, the encapsulated material …


Experimental Observation Of Topological Z2 Excitonpolaritons In Transition Metal Dichalcogenide Monolayers, Mengyao Li, Ivan Sinev, Fedor Benimetskiy, Tatyana Ivanova, Ekaterina Khestanova, Svetlana Kiriushechkina, Anton Vakulenko, Sriram Guddala, Maurice Skolnick, Vinod M. Menon, Dmitry Krizhanovskii, Andrea Alù, Anton Samusev, Alexander B. Khanikaev Jul 2021

Experimental Observation Of Topological Z2 Excitonpolaritons In Transition Metal Dichalcogenide Monolayers, Mengyao Li, Ivan Sinev, Fedor Benimetskiy, Tatyana Ivanova, Ekaterina Khestanova, Svetlana Kiriushechkina, Anton Vakulenko, Sriram Guddala, Maurice Skolnick, Vinod M. Menon, Dmitry Krizhanovskii, Andrea Alù, Anton Samusev, Alexander B. Khanikaev

Publications and Research

The rise of quantum science and technologies motivates photonics research to seek new platforms with strong light-matter interactions to facilitate quantum behaviors at moderate light intensities. Topological polaritons (TPs) offer an ideal platform in this context, with unique properties stemming from resilient topological states of light strongly coupled with matter. Here we explore polaritonic metasurfaces based on 2D transition metal dichalcogenides (TMDs) as a promising platform for topological polaritonics. We show that the strong coupling between topological photonic modes of the metasurface and excitons in TMDs yields a topological polaritonic Z2 phase. We experimentally confirm the emergence of one-way …


Designing Cryogenic Strain Device For 2d Materials, Jake Carter May 2021

Designing Cryogenic Strain Device For 2d Materials, Jake Carter

Mechanical Engineering Undergraduate Honors Theses

The Churchill lab working within the Physics Department at the University of Arkansas is working to create important quantum states including weak topological insulators (TIs) through the use of symmetry engineering and topological electronic states in two-dimensional (2D) crystals of WHM materials. Experimental results of these topological states have been obstructed due to the difficulty to perform controlled in situ strain. This project strives to create a mount to utilize a piezoelectric nanopositioner within cryostats achieving an in situ strain that creates the quantum states the lab is looking to observe. This report also examines the necessary equations to determine …


Quantum Dynamical Phenomena In Non-Hermitian And Magnomechanical Systems, Saeid Vashahri Ghamsari May 2021

Quantum Dynamical Phenomena In Non-Hermitian And Magnomechanical Systems, Saeid Vashahri Ghamsari

Graduate Theses and Dissertations

In this dissertation, we have investigated quantum dynamics via three case studies. First, we studied a system of two coupled waveguides respectively carrying optical damping and optical gain in addition to squeezing elements in one or both waveguides. Such a system is expected to generate highly entangled light fields in the two waveguides. We, however, show that the degree of the created entanglement is significantly affected by the quantum noises associated with the amplification and dissipation. Because of the noise effect, one can only have nonzero entanglement for a limited time interval. Second, we generalized the first project by considering …


Spectator Proton Detection And Reconstruction In Deep Inelastic D(E,EpS) Scattering, David Payette Apr 2021

Spectator Proton Detection And Reconstruction In Deep Inelastic D(E,EpS) Scattering, David Payette

Physics Theses & Dissertations

A Radial Time Projection Chamber (RTPC) was designed and installed in Jefferson Lab's Hall B as part of the BONuS12 (Barely Off-shell Nucleon Structure) experiment. The goal of BONuS12 is to accurately measure the structure function of the neutron by scattering 11 GeV electrons and detecting them with the CLAS12 spectrometer. Deuterium gas was used as an effective neutron target, and the new RTPC was used to detect low- momentum spectator protons. Protons follow a curved path in the 5 Tesla solenoid that is part of CLAS12, ionizing the He-CO2 gas in an annular drift region surrounding the target. These …


Plasmonic Waveguides To Enhance Quantum Electrodynamic Phenomena At The Nanoscale, Ying Li, Christos Argyropoulos Feb 2021

Plasmonic Waveguides To Enhance Quantum Electrodynamic Phenomena At The Nanoscale, Ying Li, Christos Argyropoulos

Department of Electrical and Computer Engineering: Faculty Publications

The emerging field of plasmonics can lead to enhanced light-matter interactions at extremely nanoscale regions. Plasmonic (metallic) devices promise to efficiently control both classical and quantum properties of light. Plasmonic waveguides are usually used to excite confined electromagnetic modes at the nanoscale that can strongly interact with matter. The analysis of these nanowaveguides exhibits similarities with their low frequency microwave counterparts. In this article, we review ways to study plasmonic nanostructures coupled to quantum optical emitters from a classical electromagnetic perspective. These quantum emitters are mainly used to generate single-photon quantum light that can be employed as a quantum bit …


Up-And-Coming Advances In Optical And Microwave Nonreciprocity: From Classical To Quantum Realm, Sergey V. Kutsaev, Alex Krasnok, Sergey N. Romanenko, Alexander Yu. Smirnov, Kirill Taletski, Vyacheslav P. Yakovlev Jan 2021

Up-And-Coming Advances In Optical And Microwave Nonreciprocity: From Classical To Quantum Realm, Sergey V. Kutsaev, Alex Krasnok, Sergey N. Romanenko, Alexander Yu. Smirnov, Kirill Taletski, Vyacheslav P. Yakovlev

Advanced Science Research Center

Reciprocity is a fundamental physical principle that roots in the time-reversal symmetry of physical laws. It allows making predictions on any arbitrary complex system's response and operation and hence simplifies the analysis. However, there are many practical situations in which it is advantageous to break reciprocity, e.g., isolators preventing wave scattering back to lasers and generators, full-duplex systems for multiplexing transmission and receiving in the same channel, nonreciprocal cavity excitation, and protection of fragile states of superconductor quantum computers from thermal noise. The most widespread approach to time-reversal symmetry breaking and nonreciprocity based on magnetic field biasing suffers from bulkiness, …


High Mobility N-Type Field Effect Transistors Enabled By Wse2/Pdse2 Heterojunctions, Arthur Bowman Iii Jan 2021

High Mobility N-Type Field Effect Transistors Enabled By Wse2/Pdse2 Heterojunctions, Arthur Bowman Iii

Wayne State University Dissertations

Two-dimensional (2D) semiconductors such as transition metal dichalcogenides (TMDs) have emerged as a promising candidate for post-silicon electronics. Few-layer tungsten diselenide (WSe2), a well-studied TMD, has sown high hole mobility and ON/OFF ratio in field effect transistor (FET) devices. But the n-type performance of WSe2 is still quite limited by the presence of a substantial Schottky Barrier. Palladium diselenide, (PdSe2) is a newly discovered TMD that is of interest because of its high electron mobility, and moderate ON/OFF ratios. However, despite its relatively small bandgap, the n-type performance of few-layer PdSe2 FETs has also been limited by a Schottky barrier, …


Recovery Of Phosphorus From Florida Phosphatic Waste Clay, Amir Eskanlou Jan 2021

Recovery Of Phosphorus From Florida Phosphatic Waste Clay, Amir Eskanlou

Graduate Theses, Dissertations, and Problem Reports (ETD)

This MS thesis examines the recovery of phosphorus (P) from Florida waste clay (WC). A comprehensive literature review revealed that: (i)-The most important values being lost to WC are P and rare earth elements (REEs). For the recovery of these values from WC, two crucial attempts are the removal of extremely fine-sized clays, followed by the recovery of phosphate content, which can pave the path for the recovery of REEs; (ii)-Any scientific/ technological solution should, at the same time, be economically and environmentally attractive to the industry. As such, moving from mostly chemical separation processes to the primarily physical/ physicochemical …


Reflection And Transmission Of Electromagnetic Pulses At A Planar Dielectric Interface: Theory And Quantum Lattice Simulations, Abhay K. Ram, George Vahala, Linda Vahala, Min Soe Jan 2021

Reflection And Transmission Of Electromagnetic Pulses At A Planar Dielectric Interface: Theory And Quantum Lattice Simulations, Abhay K. Ram, George Vahala, Linda Vahala, Min Soe

Electrical & Computer Engineering Faculty Publications

There is considerable interest in the application of quantum information science to advance computations in plasma physics. A particular point of curiosity is whether it is possible to take advantage of quantum computers to speed up numerical simulations relative to conventional computers. Many of the topics in fusion plasma physics are classical in nature. In order to implement them on quantum computers, it will require couching a classical problem in the language of quantum mechanics. Electromagnetic waves are routinely used in fusion experiments to heat a plasma or to generate currents in the plasma. The propagation of electromagnetic waves is …


Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss Jan 2021

Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss

Theses and Dissertations

Warm dense plasma is the matter that exists, roughly, in the range of 10,000 to 10,000,000 Kelvin and has solid-like densities, typically between 0.1 and 10 grams per centimeter. Warm dense fluids like hydrogen, helium, and carbon are believed to make up the interiors of many planets, white dwarfs, and other stars in our universe. The existence of warm dense matter (WDM) on Earth, however, is very rare, as it can only be created with high-energy sources like a nuclear explosion. In such an event, theoretical and computational models that accurately predict the response of certain materials are thus very …


Optical Properties Of Ultrathin In(Ga)As/Gaas And In(Ga)N/Gan Quantum Wells, Yurii Maidaniuk Dec 2020

Optical Properties Of Ultrathin In(Ga)As/Gaas And In(Ga)N/Gan Quantum Wells, Yurii Maidaniuk

Graduate Theses and Dissertations

Recently, structures based on ultrathin quantum wells (QWs) began to play a critical role in modern devices, such as lasers, solar cells, infrared photodetectors, and light-emitting diodes. However, due to the lack of understanding of the formation mechanism of ultrathin QWs during the capping process, scientists and engineers cannot fully explore the potential of such structures. This study aims to investigate how structural parameters of ultrathin QWs affect their emission properties by conducting a systematic analysis of the optical properties of In(Ga)As/GaAs and In(Ga)N/GaN ultrathin QWs. Specifically, the analysis involved photoluminescence measurements combined with effective bandgap simulation, x-ray diffraction, and …


Kinetic Monte Carlo Investigations Involving Atomic Layer Deposition Of Metal-Oxide Thinfilms, David Tyler Magness Dec 2020

Kinetic Monte Carlo Investigations Involving Atomic Layer Deposition Of Metal-Oxide Thinfilms, David Tyler Magness

Graduate Theses/Dissertations

Atomic Layer Deposition is a method of manufacturing thin film materials. Metal-oxides such as zinc-oxide and aluminum-oxide are particularly interesting candidates for use in microelectronic devices such as tunnel junction barriers, transistors, Schottky diodes, and more. By adopting a 3D Kinetic Monte Carlo model capable of simulating ZnO deposition, the effect of parameters including deposition temperature, chamber pressure, and composition of the initial substrate at the beginning of deposition can be investigated. This code generates two random numbers: One is used to select a chemical reaction to occur from a list of all possible reactions and the second is used …


Radial Basis Densities And The Density Functional-Based Atom-In-Molecule: Designing Charge-Transfer Potentials, Godwin Amo-Kwao Nov 2020

Radial Basis Densities And The Density Functional-Based Atom-In-Molecule: Designing Charge-Transfer Potentials, Godwin Amo-Kwao

Nanoscience and Microsystems ETDs

Classical potentials that are capable of describing charge transfer and charge polarization in complex systems are of central importance for classical atomistic simulation of biomolecules and materials. Current potentials—regardless of the system—do not generalize well, and, with the exception of highly-specialized empirical potentials tuned for specific systems, cannot describe chemical bond formation and breaking. The charge-transfer embedded atom method (CT-EAM), a formal, DFT-based extension to the original EAM for metals, has been developed to address these issues by modeling charge distortion and charge transfer in interacting systems using pseudoatom building blocks instead of the electron densities of isolated atoms. CT-EAM …


Dual-Axis Solar Tracker, Bryan Kennedy Jan 2020

Dual-Axis Solar Tracker, Bryan Kennedy

All Undergraduate Projects

Renewable energies, and fuels that are not fossil fuel-based, are one of the prolific topics of debate in modern society. With climate change now becoming a primary focus for scientists and innovators of today, one of the areas for the largest amount of potential and growth is that of the capturing and utilization of Solar Energy. This method involves using a mechanical system to track the progression of the sun as it traverses the sky throughout the day. A dual-axis solar tracker such as the one designed and built for this project, can follow the sun both azimuthally and in …


Magnetism In Γ-Fesi2 Nanostructures: A First Principles Study, Sahil Dhoka Jan 2020

Magnetism In Γ-Fesi2 Nanostructures: A First Principles Study, Sahil Dhoka

Dissertations, Master's Theses and Master's Reports

First-principles calculations are performed on γ-FeSi2 nanostructures grown on Si (111) and (001) substrate. An attempt to explain the origin of emergent magnetic properties of the metastable gamma phase of iron di-silicide (γ-FeSi2) is made, which show ferromagnetic behavior on nanoscale, unlike its possible bulk form. Many papers try to explain this magnetism from factors like bulk, epitaxial strain, interface, surface, edges, and corners but doesn’t provide an analytical study for these explanations. Density functional theory is used to analyze the magnetic effects of these factors. The results for the epitaxial structures show no magnetic behavior for …


Recent Developments In The Pyscf Program Package, Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi-Hao Cui, Janus J. Eriksen, Yang Gao, Sheng Gun, Jan Hermann, Matthew R. Hermes, Kevin Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. Mcclain, Mario Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robinson, Enrico Ronca, Elvira R. Sayfutyarova, Maximillian Scheurer, Henry F. Schurkus, James E.T. Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K. Wagner, Xiao Wang, Alec White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Yu Sokolov, Garnet Kin-Lic Chan Jan 2020

Recent Developments In The Pyscf Program Package, Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi-Hao Cui, Janus J. Eriksen, Yang Gao, Sheng Gun, Jan Hermann, Matthew R. Hermes, Kevin Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. Mcclain, Mario Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robinson, Enrico Ronca, Elvira R. Sayfutyarova, Maximillian Scheurer, Henry F. Schurkus, James E.T. Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K. Wagner, Xiao Wang, Alec White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Yu Sokolov, Garnet Kin-Lic Chan

University Administration Publications

PySCF is a Python-based general-purpose electronic structure platform that supports first-principles simulations of molecules and solids as well as accelerates the development of new methodology and complex computational workflows. This paper explains the design and philosophy behind PySCF that enables it to meet these twin objectives. With several case studies, we show how users can easily implement their own methods using PySCF as a development environment. We then summarize the capabilities of PySCF for molecular and solid-state simulations. Finally, we describe the growing ecosystem of projects that use PySCF across the domains of quantum chemistry, materials science, machine learning, and …


Resource Efficient Design Of Quantum Circuits For Cryptanalysis And Scientific Computing Applications, Edgard Munoz-Coreas Jan 2020

Resource Efficient Design Of Quantum Circuits For Cryptanalysis And Scientific Computing Applications, Edgard Munoz-Coreas

Theses and Dissertations--Electrical and Computer Engineering

Quantum computers offer the potential to extend our abilities to tackle computational problems in fields such as number theory, encryption, search and scientific computation. Up to a superpolynomial speedup has been reported for quantum algorithms in these areas. Motivated by the promise of faster computations, the development of quantum machines has caught the attention of both academics and industry researchers. Quantum machines are now at sizes where implementations of quantum algorithms or their components are now becoming possible. In order to implement quantum algorithms on quantum machines, resource efficient circuits and functional blocks must be designed. In this work, we …