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Title:Dynamics of vibrational energy flow, quantum computing and laser assisted fusion
Author(s):Berrios Rojas, Eduardo Ignacio
Director of Research:Gruebele, Martin
Doctoral Committee Chair(s):Martin Gruebele
Doctoral Committee Member(s):Bhargava, Rohit; Hirata, So; McCall, Benjamin J.
Department / Program:Chemistry
Discipline:Chemical Physics
Degree Granting Institution:University of Illinois at Urbana-Champaign
Subject(s):Vibrational Energy Flow
Quantum Computing
Abstract:My Ph. D. studies can be divided in three main areas: quantum dynamics, intramolecular vibrational energy flow and gas phase vibrational spectroscopy. In the first area, we showed theoretically that the maximum fidelity reachable with vibrational qubits is approximately 0.9999 and 0.99 for one and two qubits gates, using conventional pulse shaper techniques. However, optimal control theory increases the fidelity for a two qubits gate up to 0.9999. In addition, I simulated the dynamics of two bare nuclei (deuterium-tritium) interacting with a shaped femtosecond laser pulse in one dimension. Simulations showed that the shaped laser pulse is able to keep the two nuclei together and bring them closer than an unshaped gaussian femtosecond laser pulse. This observation opens the question if a shaped femtosecond pulse could increase the fusion reaction rate in the laboratory. In the second area, new sets of stable vibrational states above the dissociation limit of thiophosge (SCCl2) were observed in addition to previously observed ones. These extra states close the gap between experiments and theory predictions. At last, in gas phase spectroscopy, we observed in a molecular beam thiophosgene dimer (S2C2Cl4) and assigned its low frequency vibrations using standard ab-initio and density functional theory. We also introduced Franck-Condon fingerprints to assign complex vibration-tunneling spectra. In this technique we replace precise frequency information with intensity information. As proof-of-concept, we used the excited electronic state of SCCl2 as prototype. An effective vibration-tunneling Hamiltonian was fitted for the B excited electronic state for the first time.
Issue Date:2013-08-22
Rights Information:Copyright 2013 Eduardo Ignacio Berrios Rojas
Date Available in IDEALS:2013-08-22
Date Deposited:2013-08

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