{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/45654"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/45654","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Dynamics of vibrational energy flow, quantum computing and laser assisted fusion","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.","abstract_html":"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.","abstract_has_math":false,"creators":["Berrios Rojas, Eduardo Ignacio"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"Ph.D.","degree_level":"Dissertation","degree_discipline":"Chemical Physics","degree_department":null,"school":null,"contributors":["Gruebele, Martin","Martin Gruebele","Bhargava, Rohit","Hirata, So","McCall, Benjamin J."],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2013,"date_issued":"2013-08-22T16:56:49Z","date_published":"2013-08-22T16:56:49Z","updated_at":"2026-07-22T22:25:36Z","subjects":["Vibrational Energy Flow","Quantum Computing","Fusion."],"languages":["en"],"rights":["Copyright 2013 Eduardo Ignacio Berrios Rojas"],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/2142/45654","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Gruebele, Martin","Martin Gruebele","Bhargava, Rohit","Hirata, So","McCall, Benjamin J."]},{"key":"dc:creator","label":"Author","values":["Berrios Rojas, Eduardo Ignacio"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2013-08-22T16:56:49Z","2015-08-22T10:00:51Z","2013-08"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemical Physics"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Dissertation"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Ph.D."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Vibrational Energy Flow","Quantum Computing","Fusion."]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["en"]},{"key":"dc:rights","label":"Dc Rights","values":["Copyright 2013 Eduardo Ignacio Berrios Rojas"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/45654"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["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.","Item withdrawn by Mark Zulauf (zulauf@illinois.edu) on 2013-07-09T13:56:17Z Item was in collections: University of Illinois Theses & Dissertations (ID: 1) No. of bitstreams: 1 Berrios_Rojas_Eduardo_Ignacio.pdf: 5566836 bytes, checksum: 8e0c6a4011cb54c2ed5764edce26f46b (MD5)","Made available in DSpace on 2013-08-22T16:56:49Z (GMT). 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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.","Item withdrawn by Mark Zulauf (zulauf@illinois.edu) on 2013-07-09T13:56:17Z Item was in collections: University of Illinois Theses & Dissertations (ID: 1) No. of bitstreams: 1 Berrios_Rojas_Eduardo_Ignacio.pdf: 5566836 bytes, checksum: 8e0c6a4011cb54c2ed5764edce26f46b (MD5)","Made available in DSpace on 2013-08-22T16:56:49Z (GMT). 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