Theses on the topic of quantum computing

quantum computing thesis pdf

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Stochastic gradient line bayesian optimization (sglbo) for quantum computing (b.sc.).

Current algorithms for quantum computers are based on so-called variational approaches. In this process, quantum gates - the programmable building blocks of quantum computers - are parameterized with variables and numerically optimized using conventional computers. To do this, gradient-based methods are often applied. However, noise poses a particular challenge when it comes to optimization due to the probabilistic nature of quantum physics, as well as the significant measurement noise of today’s error-prone hardware. Optimization methods for quantum algorithms must therefore be able to deal with noise.

This is where machine learning optimization methods come into play. A highly promising optimization approach is Stochastic Gradient Line Bayesian Optimization (SGLBO). This uses a machine learning method (Bayesian Optimization) to control the optimization step by step. A recent publication demonstrated how this can give quantum algorithms an advantage over other optimization methods. This bachelor thesis will examine to what extent quantum neural networks can be optimized using the SGLBO method. Quantum neural networks function like artificial neural networks, but they are run on a quantum computer. In the first part of the thesis, the SGLBO method will be implemented and tested in Python. This will be followed by a comparison with other previously-implemented optimization methods under different noise influences.  Finally, the thesis will assess how well the optimization works on IBM's real quantum computing hardware. The thesis provides an exciting opportunity to address current optimization challenges using quantum computing and to make an important contribution in this field. Prior knowledge of numerical optimization is a great advantage, as well as a general interest in the topics of quantum computing and machine learning.

Quantum Kernel Methods for Solving Differential Equations (B.Sc, M.Sc)

In the DEGRAD-EL3-Q project, we are investigating how quantum computing methods can be used to analyze the lifetime of electrolyzers. The project is part of the lead project H2Giga and aims at advancing the industrial manufacturing process of electrolyzers. The mathematical description of how electrolyzers behave in operation can be modeled by differential equations. In this project, we want to explore the extent to which quantum kernel methods can be used to solve differential equations. In addition, a systematic comparison will be made with the quantum neural networks also studied in the project. This is an exciting and forward-looking topic in the superposition state of quantum computing and hydrogen research.

Evaluating the Use of Quantum Graph Neural Networks to Predict Molecular Properties (M.Sc.)

Scalable and cost-effective solutions for storing renewable energy are essential if we are to meet the world's increasing energy demand and simultaneously mitigate climate change. The conversion of electricity to hydrogen, as well as the reverse combustion process, can play an important role. To make catalysis processes in hydrogen production efficient, new materials are constantly being studied. Machine learning methods are already being used to simulate and calculate catalysis properties. Graph-based neural networks (GNN) are proving to be particularly promising in this respect. Since the prediction of potential surfaces and other relevant properties takes place at molecular and atomic level, the use of quantum computers is also being considered. First approaches to implement GNNs on quantum computers have already been published. The objective of the master thesis is to determine the suitability of quantum GNNs for predicting molecular properties. To this end, depending on prior knowledge, an understanding of GNNs, as well as some basic knowledge of quantum computing, must first be acquired. In-depth knowledge of electrocatalysis is not necessarily required. Towards the end of the master thesis, the developed approaches can be tested and evaluated on a real quantum computer.

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quantum computing thesis pdf

Faraday Discussions

Mixed quantum/classical theory (mqct) approach to the dynamics of molecule–molecule collisions in complex systems †.

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* Corresponding authors

a Chemistry Department, Wehr Chemistry Building, Marquette University, Milwaukee, Wisconsin 53201-1881, USA E-mail: [email protected]

b Observatoire de Paris, PSL University, Sorbonne Universite, CNRS, SYRTE, Paris, France

We developed a general theoretical approach and a user-ready computer code that permit study of the dynamics of collisional energy transfer and ro-vibrational energy exchange in complex molecule–molecule collisions. The method is a mixture of classical and quantum mechanics. The internal ro-vibrational motion of collision partners is treated quantum mechanically using a time-dependent Schrödinger equation that captures many quantum phenomena including state quantization and zero-point energy, propensity and selection rules for state-to-state transitions, quantum symmetry and interference phenomena. A significant numerical speed up is obtained by describing the translational motion of collision partners classically, using the Ehrenfest mean-field trajectory approach. Within this framework a family of approximate methods for collision dynamics is developed. Several benchmark studies for diatomic and triatomic molecules, such as H 2 O and ND 3 collided with He, H 2 and D 2 , show that the results of MQCT are in good agreement with full-quantum calculations in a broad range of energies, especially at high collision energies where they become nearly identical to the full quantum results. Numerical efficiency of the method and massive parallelism of the MQCT code permit us to embrace some of the most complicated collisional systems ever studied, such as C 6 H 6 + He, CH 3 COOH + He and H 2 O + H 2 O. Application of MQCT to the collisions of chiral molecules such as CH 3 CHCH 2 O + He, and to molecule–surface collisions is also possible and will be pursued in the future.

Graphical abstract: Mixed quantum/classical theory (MQCT) approach to the dynamics of molecule–molecule collisions in complex systems

  • This article is part of the themed collection: New directions in molecular scattering

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quantum computing thesis pdf

Mixed quantum/classical theory (MQCT) approach to the dynamics of molecule–molecule collisions in complex systems

C. Joy, B. Mandal, D. Bostan, M. Dubernet and D. Babikov, Faraday Discuss. , 2024, Advance Article , DOI: 10.1039/D3FD00166K

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Mossavar-rahmani center announces 2024 dunlop undergraduate thesis prize winner.

quantum computing thesis pdf

Aden Barton.

Courtesy Aden Barton

The Mossavar-Rahmani Center for Business and Government (M-RCBG) at Harvard’s Kennedy School of Government announced Aden Barton as the 2024 winner of the John T. Dunlop Undergraduate Thesis Prize in Business and Government.

Barton won for his thesis, “The Causal Effect of Welfare Retrenchment: Evidence from Medicaid and SNAP.” He is graduating from Harvard College this week with an A.B. in economics.

The John T. Dunlop Thesis Prize in Business and Government is awarded to graduating seniors who write the best thesis on a challenging public policy issue at the interface of business and government. The prize carries a $2,000 award.

This year’s winning thesis by Barton examines the ongoing Medicaid Unwinding, in which millions have been removed from public insurance based on a state’s caseload prioritization. He finds that disenrollment increases the likelihood of being on private insurance and of being uninsured, and reduces the likelihood of enrollees and disenrollees working in the last week by about 5 percentage points, as individuals likely reduced their labor supply to maintain eligibility. His findings also indicate an increased household financial strain, most conclusively by greatly raising the likelihood individuals delay medical treatment.

In explaining why the center chose to award the John Dunlop Prize to Barton, John A. Haigh, co-director of M-RCBG, said that “Aden’s thesis was impressive in its conception and execution. It represents the type of excellent analysis and policy recommendations at the intersection of business and government that we value so highly here at the center.”

John T. Dunlop, the Lamont University Professor Emeritus, was a widely respected labor economist who served as dean of the Faculty of Arts and Sciences from 1969 to 1973. An adviser to many U.S. presidents, beginning with Franklin D. Roosevelt, Dunlop was secretary of labor under Gerald Ford, serving from March 1975 to January 1976. In addition to serving as secretary of labor, Dunlop held many other government posts, including: director of the Cost of Living Council, (1973-74), chairman of the Construction Industry Stabilization Committee (1993-95), chair of the Massachusetts Joint Labor-Management Committee for Municipal Police and Firefighters (1977-2003) and Chair of the Commission on Migratory Farm Labor (1984-2003). Dunlop served as the second director of the Center for Business and Government from 1987 to1991. The Center, renamed in 2005 as the Mossavar-Rahmani Center for Business and Government, focuses on policy issues at the intersection of business and government. Dunlop died in 2003.

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