Dynamics of vibrational energy flow, quantum computing and laser assisted fusion

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.

Name thesis:degree_name

Ph.D.

Level thesis:degree_level

Dissertation

Discipline thesis:degree_discipline

Chemical Physics

Grantor

University of Illinois at Urbana-Champaign

Year dc:date

2013

Author dc:creator

• Berrios Rojas, Eduardo Ignacio

Contributors dc:contributor

• Gruebele, Martin
• Martin Gruebele
• Bhargava, Rohit
• Hirata, So
• McCall, Benjamin J.

• Vibrational Energy Flow
• Quantum Computing
• Fusion.

Statement dc:rights

• Copyright 2013 Eduardo Ignacio Berrios Rojas

Language dc:language

en

Handle dc:identifier

http://hdl.handle.net/2142/45654

OAI identifier oai:identifier

oai:www.ideals.illinois.edu:2142/45654