Browsing Theses by Subject "quantum chemistry"
Now showing items 1-4 of 4
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Advances in the density matrix renormalization group method for use in quantum chemistry
(University of Waterloo, 2008-05-01)Despite the success of modern quantum chemistry in predicting properties of organic molecules, the treatment of inorganic systems, which have many close lying states, remains out of quantitative reach for current methods. ... -
Exotic Circuits for Enhanced Quantum Algorithms and Computation
(University of Waterloo, 2023-08-09)Quantum circuits play an essential role in many disciplines of quantum information science. They can not only be represented in the traditional gate-based paradigm, but also an alternative measurement-based paradigm. The ... -
Graph-Theoretic Techniques for Optimizing NISQ Algorithms
(University of Waterloo, 2024-02-15)Entering the NISQ era, the search for useful yet simple quantum algorithms is perhaps of more importance now than it may ever be in the future. In place of quantum walks, the quantum Fourier transform, and asymptotic results ... -
A path integral Monte Carlo method for obtaining thermodynamic properties of nonadiabatic systems
(University of Waterloo, 2017-09-22)The calculation of thermochemical properties is an important goal of quantum chemistry. Calculation techniques are well established for stable molecules. They are used routinely to calculate Gibbs energy (G) for stable ...