Auburn University > COSAM > Chemistry and Biochemistry > J.V.Ortiz >


Ortiz Quantum Chemistry Group

Group Members | Publications | Research | Former Members | Recent Meetings

Recent Lectures* and Posters at Meetings and Research Institutions

2024

A Balanced Life: The Calling of Chemistry, Keynote Address, American Chemical Society Auburn Local Section Meeting, Troy University, Troy, Alabama, February 23, 2024.

New-Generation Electron-Propagator Methods for Calculating Molecular Electron-Binding Energies and Dyson Orbitals, Sanibel Symposium, Saint Augustine Beach, Florida, February 27, 2024.

2023

A New Generation of Electron-Propagator Self-Energies for Calculations on Anions: Benchmarks and Applications to Nucleotides, poster at Sanibel Symposium, Saint Augustine Beach, Florida, February 13, 2023.

The Chemistry of Electron Binding Energies and Their Dyson Orbitals, Knight Lecture, Department of Chemistry, University of Akron, Akron, Ohio, April 4, 2023.

What Are the Electrons Doing in Molecules?, Knight Lecture, lecture for generalists, University of Akron, Akron, Ohio, April 5, 2023.

The Chemistry of Electron Binding Energies and Their Dyson Orbitals, Physical Chemistry Seminar, Department of Chemistry, University of Florida, Gainesville, Florida, September 26, 2023.

2022

A New Generation of Diagonal and Non-diagonal Self-Energies for the Calculation of Electron Removal Energies, poster at Sanibel Symposium, Saint Simons, Georgia, February 17, 2022.

Métodos Novedosos Para Calcular e Interpretar Energías de Ionización, Electroafinidades y Orbitales de Dyson con Aplicaciones a los Aniones Doble Rydberg, Chemistry Department Seminar, Metropolitan Autonomous University, Iztapalapa, Mexico City, May 4, 2022.

Electron-Propagator Self-Energies Versus Improved GW100 Vertical Ionization Energies, Tenth Triennial Conference on Molecular Quantum Mechanics, Blacksburg, Virginia, July 2, 2022.

Electron-propagator, extended-Koopmans-theorem and self-consistent-field approaches to the interpretation and prediction of electron binding energies, contributed lecture at American Chemical Society National Meeting, Chicago, Illinois, August 23, 2022.

Electron-Propagator, Extended-Koopmans and Self-Consistent-Field Perspectives on Electron-Binding Energies, Sixth International Conference on Molecular Electronic Structure, Monastir, Tunisia, September 5, 2002.

2021

Efficient prediction of electron binding energies with quasiparticle self-energies: From finite-order to GW to renormalized electron-propagator methods, contributed lecture at American Chemical Society National Meeting, Atlanta, Georgia, August 25, 2021.

2020

Dyson Orbitals: Fundamental Units of Electronic Structure and Chemical Interpretation, contributed lecture at Sanibel Symposium, Saint Simons, Georgia, February 19, 2020.

Correlated, One-electron Theories of Chemical Bonding and Spectra: Applications to Exotic Anions, Chemistry and Chemical Biology Seminar, University of California, Merced, February 28, 2020.

Introduction to Quantum Chemistry, Molecular Sciences Software Institute Seminar, online workshop, July 20, 2020.

Correlated, One-electron Theories of Chemical Bonding and Spectra: Applications to Exotic Anions, Molecular Sciences Software Institute Seminar, online workshop, July 21, 2020.

Dyson-Orbital Concepts in the Exploration of Chemical Bonding, Department of Chemistry Seminar, Syracuse University, online seminar, October 13, 2020.

2019

Rydberg Anions, Solvated Electron Precursors and Their Dyson Orbitals, American Chemical Society National Meeting, Orlando, Florida, March 31, 2019.

Rydberg Anions, Solvated Electron Precursors and Their Dyson Orbitals, Current Topics in Theoretical Chemistry, Universidad San Francisco de Quito, Cumbayá, Quito, Ecuador, July 4, 2019.

Diffuse and magnetic Dyson orbitals in the Rydberg anions and solvated-electron precursors of transition-metal chemistry, American Chemical Society National Meeting, San Diego, California, August 27, 2019.

Diffuse Dyson Orbitals in Rydberg Anions and Solvated-Electron Precursors, Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, Virginia, November 6, 2019.

Diffuse Dyson Orbitals in Rydberg Anions and Solvated-Electron Precursors, Department of Chemistry and Biochemistry, Hampton University, Hampton, Virginia, November 7, 2019.

Rydberg Anions, Solvated-Electron Precursors and Their Dyson Orbitals, contributed lecture, Annual Meeting, National Organization for the Professional Advancement of Black Chemists and Chemical Engineers, Saint Louis, Missouri, November 18, 2019.

2018

Electron Propagator Theory of Correlation-Bound Anions and Their Dyson Orbitals, Sanibel Symposium, Saint Simons, Georgia, February 20, 2018.

Diversity and Excellence: Advice for Department Chairmen, Symposium on How to Foster Diversity in the Chemical Sciences, Committee on Minority Affairs, American Chemical Society National Meeting, New Orleans, Louisiana, March 19, 2018.

Solvated-Electron Precursors and Their Dyson Orbitals, contributed lecture, Annual Meeting, National Organization for the Professional Advancement of Black Chemists and Chemical Engineers, Orlando, Florida, September 18, 2018.

Toward Diversity and Excellence: Measures for Department Chairmen, Symposium on Diversity in the Chemical Enterprise, Southeast Regional Meeting of the American Chemical Society, Augusta, Georgia, November 2, 2018.

2017

Electron Propagator Theory and Correlation-Bound Anions, poster at Sanibel Symposium, Saint Simons, Georgia, February 21, 2017.

Electron Propagator Theory and Correlation-Bound Anions, contributed lecture, American Chemical Society National Meeting, San Francisco, California, April 5, 2017.

Ab Initio Electron Propagator Theory and Computational Applications, Connecticut Valley Quantum Chemistry Meeting, Wallingford, Connecticut, April 20, 2017.

Electron Propagator Theory, Dyson Orbitals and Correlation-Bound Anions, Chemistry Colloquium, Wesleyan University, Middletown, Connecticut, April 21, 2017.

Orbital Concepts, Propagator Methods and Novel Chemical Bonding in Anions, Science Gateways Community Institute Workshop, Jackson State University, Jackson, Mississippi, May 9, 2017.

Electron Propagator Theory, Dyson Orbitals and Correlation-Bound Anions, Materials After Dark Seminar, Advanced Materials Science and Engineering Center, Western Washington University, Bellingham, Washington, August 8, 2017.

Double Rydberg Anions and Their Dyson Orbitals, American Chemical Society National Meeting, Washington, DC, August 24, 2017.

Double Rydberg Anions and Their Dyson Orbitals, Department Seminar, University of North Georgia, Gainesville, Georgia, October 13, 2017.

Double Rydberg Anions and Their Dyson Orbitals, contributed lecture, Annual Meeting, National Organization for the Professional Advancement of Black Chemists and Chemical Engineers, Minneapolis, Minnesota, November 1, 2017.

Electron Propagator Theory, Dyson Orbitals and Correlation-Bound Anions, contributed lecture, Southeast Regional Meeting of the American Chemical Society, Charlotte, North Carolina, November 8, 2017.

Correlation-Bound Anions and Their Dyson Orbitals, Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, November 10, 2017.

2016

Efficient and Accurate Propagator Methods for Calculating Electron Binding Energies, Sanibel Symposium, Saint Simons, Georgia, February 17, 2016.

Learning Chemical Principles from Electron Propagator Calculations, Alabama Agricultural and Mechanical University, Huntsville, Alabama, April 12, 2016.

Learning Chemical Principles from Electron Propagator Calculations, Oakwood University, Huntsville, Alabama, April 12, 2016.

Quantum Chemistry at Auburn University, National Organization for the Professional Advancement of Black Chemists and Chemical Engineers Joint Annual Southeast-Southwest Regional Meeting, Baton Rouge, Louisiana, April 22, 2016.

Foundations and Applications of Orbital Concepts in the Dyson Quasiparticle Equation, Southeast Theoretical Chemistry Association, Tallahassee, Florida, May 13, 2016.

Ab Initio Propagator Studies of the Electronic Structure of Diffuse and Valence Anions: From Fullerenes to Double Rydbergs, contributed lecture, American Chemical Society National Meeting, Philadelphia, Pennsylvania, August 22, 2016.

Learning Chemical Principles from Electron Propagator Calculations, University of Alabama, Huntsville, Alabama, August 26, 2016.

Ab Initio Propagator Studies of P-N Cluster, Superhalogen and Double-Rydberg Anions, Southeastern Regional Meeting, American Chemical Society, Columbia, South Carolina, October 26, 2016.

Designing Superhalogens: Insights and Predictions from Electron Propagator Theory, contributed lecture, Annual Meeting, National Organization for the Professional Advancement of Black Chemists and Chemical Engineers, Raleigh, North Carolina, November 11, 2016.

Los Orbitales de Dyson y la Estructura Electrónica de Aniones Exóticos, XV Reunión Mexicana de Fisicoquímica Teórica, Mérida, Yucatán, México, November 18, 2016.

2015

Accurate and Efficient Propagator Methods for Calculating Electron Binding Energies of Large Molecules: Applications to Fullerenes and Other Large Acceptors, contributed lecture, American Chemical Society National Meeting, Denver, Colorado, March 22, 2015.

Orbital Concepts in Chemical Discovery, College of Sciences and Mathematics Research Awards Ceremony, Auburn University, Auburn, Alabama, April 1, 2015

Calculating Electron Binding Energies and Dyson Orbitals with Ab Initio Propagator Methods, Ionisation Master Class, National Service for Computational Chemistry Software, Imperial College, London, United Kingdom, April 14, 2015.

Introduction to Electron Propagator Theory, Department of Chemistry, University of Illinois, Urbana, Illinois, May 5, 2015.

Calculating Electron Binding Energies and Dyson Orbitals with Ab Initio Propagator Methods, Department of Chemistry, University of Illinois, Urbana, Illinois, May 7, 2015.

Five Aspects of Theoretical Chemistry, Southeast Theoretical Chemistry Association, Orlando, Florida, May 15, 2015.

Ground and Excited states of Three-dimensional Carbon and Boron Clusters from P3+ and NR2 Electron Propagator Theory, International Conference on Chemical Bonding, Lihue, Hawaii, July 6, 2015.

Electron Propagator Theory: Concepts and Calculations, Gaussian, Inc., Wallingford, Connecticut, July 17, 2015.

Electron Affinities and Dyson Orbitals of Large Acceptor Molecules, XXIV International Materials Research Congress, Cancún, Mexico, August 22, 2015.

Ground and Excited States of Three-Dimensional Carbon and Boron Clusters from P3+ and NR2 Electron Propagator Calculations, contributed lecture, Annual Meeting of the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers, Orlando, Florida, September 24, 2015.

Dyson Orbitals and New Kinds of Chemical Bonding, Department of Chemistry and Biochemistry Seminar, James Madison University, Harrisonburg, Virginia, October 16, 2015.

Electron Propagator Calculations on Carbon and Boron Clusters, Theoretical Chemistry Seminar, Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional (CINVESTAV), Mexico City, Mexico, November 25, 2015.

Assignments of Ground and Excited states of Three-Dimensional Carbon and Boron Clusters from P3+ and NR2 Electron-Propagator Theory, contributed lecture, Pacifichem 2015, International Chemical Congress of Pacific Basin Chemical Societies, Honolulu, Hawaii, December 15, 2015.

2014

Versatility and Interpretability in Electron Propagator Theory, Sanibel Symposia, Saint Simons, Georgia, February 19, 2014.

Propagator Concepts for the Interpretation of Spectra, Energetics and Transport, Chemistry Department Seminar, Tulane University, New Orleans, Louisiana, March 31, 2014.

Propagator Concepts for the Interpretation of Spectra, Energetics and Transport, Physical-Analytical Chemistry Seminar, Texas A and M University, College Station, Texas, April 22, 2014.

Propagator Concepts for the Interpretation of Spectra, Energetics and Transport, deMon Developers' Workshop, Los Cabos, Baja California Sur, México, April 28, 2014.

Propagator Concepts and Their Application to Spectra, Energetics and Transport, Southeast Theoretical Chemistry Association, Atlanta, Georgia, May 16, 2014.

Dyson orbitals and electron binding energies of anionic nucleic-acid fragments, fullerenes and macrocyclic compounds, American Chemical Society National Meeting, San Francisco, California, August 10, 2014.

Understanding Chemical Bonding and Molecular Spectra with Electron Propagator Theory, Physics and Engineering Physics Department Seminar, Tulane University, New Orleans, Louisiana, September 24, 2014.

Electron Binding Energies and Dyson Orbitals of Molecular Anions, Department of Chemistry, Johns Hopkins University, Baltimore, Maryland, October 1, 2014.

Orbital Concepts in Spectra, Energetics and Transport from Electron Propagator Theory, Tenth Triennial Congress of the World Association of Theoretical and Computational Chemists, Santiago, Chile, October 8, 2014.

2013

Learning Chemical Principles from Electron Propagator Calculations, Chemistry Department Seminar, Jackson State University, Jackson, Mississippi, January 18, 2013.

Contrasting Patterns of Delocalization in the Dyson Orbitals of Aqueous Halides, poster at Sanibel Symposia, Saint Simons Island, Georgia, February 20, 2013.

Concepts of Chemical Bonding from Electron Propagator Theory, Physical Chemistry Seminar, Indiana University, Bloomington, Indiana, April 11, 2013.

Chairman of Organizing Committee, Southeast Theoretical Chemistry Association meeting, Auburn, Alabama, May 9-11, 2013.

2012

Electron Propagator Calculations on the Photoelectron Spectra of Aqueous Halides, poster at Sanibel Symposia, Saint Simons Island, Georgia, February 22, 2012.

Prediction and Interpretation with Ab initio Electron Propagator Theory, Union University, Jackson, Tennessee, April 13, 2012.

Concepts of Chemical Bonding from Electron Propagator Theory, Southeastern Theoretical Chemistry Association, Athens, Georgia, May 18, 2012.

Chemical Bonding, Dyson Orbitals and Electron Propagator Theory, Seventeenth International Workshop on Quantum Systems in Chemistry and Physics, Turku, Finland, August 22, 2012.

Concepts of Chemical Bonding from Electron Propagator Theory, Theory and Applications of Computational Chemistry 2012, Pavia, Italy, September 7, 2012.

Concepts of Chemical Bonding from Electron Propagator Theory, Seventh International Meeting on Photodynamics and Related Aspects, Maresias, São Paulo, Brazil, October 15, 2012.

Prediction and Interpretation with Ab initio Electron Propagator Theory, Tuskegee University, Tuskegee, Alabama, October 24, 2012.

2011

Correlation Effects in Electron Propagator Calculations on a Molecular Capacitor, poster at Sanibel Symposia, Saint Simons Island, Georgia, February 26, 2011.

Prediction and Interpretation with Ab initio Electron Propagator Theory, Tenth MERCURY Conference, Bucknell University, Lewisburg, Pennsylvania, July 30, 2011.

Prediction and Understanding in Quantum Chemistry, Department of Chemistry, Tokyo University of Science, Tokyo, Japan, September 10, 2011.

Concepts of Chemical Bonding from Electron Propagator Theory, Sixteenth International Workshop on Quantum Systems in Chemistry and Physics, Kanazawa, Japan, September 13, 2011.

Electron Propagators in Chemical Bonding Theory, Chemistry Department Seminar, Kanazawa University, Kanazawa, Japan, September 15, 2011.

Concepts of Chemical Bonding from Electron Propagator Theory, Twentieth Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, October 29, 2011.

Predicciones ab initio de espectros fotoelectrónicos e interpretaciones basadas en orbitales de Dyson con el propagador del electrón, XXXVII Congreso de Químicos Teóricos de Expresión Latina, Riviera Maya, Quintana Roo, Mexico, December 8, 2011.

2010

Consistent ground states and renormalizations in ab initio propagator theory of molecules, Multidisciplinary Workshop on the Random-Phase Approximation, Université Pierre et Marie Curie, Paris, France, January 27, 2010.

Computing for Insight with Propagators, Sanibel Symposia, Saint Simons, Georgia, February 27, 2010.

Computing for Chemical Insight with Electron Propagators, Chemistry Department Seminar, Jackson State University, Jackson, Mississippi, April 9, 2010.

El propagador del electrón y los dilemas de Mulliken y Hückel, Chemistry Department Seminar, Metropolitan Autonomous University, Iztapalapa, Mexico City, April 28, 2010.

Strong Correlation Effects in the Photoelectron Spectra of Fullerenes and Metallomacrocyclic Molecules, Theory of Atomic and Molecular Clusters Symposium VI, Mexico City, Mexico, June 16, 2010.

Electron Propagator Theory of Molecules: Bonding, Spectra, Transport, Oak Ridge National Laboratory, Oak Ridge, Tennessee, June 29, 2010.

Electron Propagator Theory of Molecules: Bonding, Spectra, Transport, Department of Physics, University of Tennessee, Knoxville, Tennessee, June 30, 2010.

Propagator Interpretations of Biomolecular Electron Binding Energies, American Chemical Society National Meeting, Boston, Massachusetts, August 25, 2010.

2009

Electron Propagator Theory: From Double Rydberg Anions to Large Molecules, poster at Gordon Research Conference on Molecular Energy Transfer, Ventura, California, January 21, 2009.

Large Correlation Effects in Electron Propagator Calculations on Large Molecules, poster at Sanibel Symposia, Saint Simons Island, Georgia, March 2, 2009.

Insights into Chemical Bonding from Electron Propagator Theory, Canadian Society for Chemistry, Satellite Symposium on Atoms in Molecules in Honor of Richard F. W. Bader, Hamilton, Ontario, Canada, June 4, 2009.

Propagators, Spectra and Strong Correlation, American Chemical Society National Meeting, Washington, DC, August 19, 2009.

Propagators, Spectra and Bonding Concepts, XXXIII International Workshop on Condensed Matter Theories, Quito, Ecuador, August 21, 2009.

Efectos fuertes de la correlación electrónica en los espectros fotoelectrónicos de moléculas metalomacrocíclicas, VIII Reunión Mexicana de Fisicoquímica Teórica, Colima, Colima, México, November 12, 2009.

2008

The Electron Propagator Theory of Chemical Bonding, Department of Chemistry Seminar, Indian Institute of Technology, Delhi, New Delhi, India, January 2, 2008.

Insights into Chemical Bonding from Electron Propagator Theory, Photoion, Photoionization and Photodetachment Gordon Research Conference, Il Ciocco, Italy, January 30, 2008.

Insights into Chemical Bonding from Electron Propagator Theory, Istituto per i Processi Chimico-Fisici, Consiglio Nazionale delle Ricerche, Pisa, Italy, February 1, 2008.

Quasi-particle Virtual Orbitals in Electron Propagator Calculations, poster at Sanibel Symposia, Saint Simons Island, Georgia, February 25, 2008.

Progress Report on Computational Quantum Chemistry Research, 709 Armament Systems Squadron and Defense Threat Reduction Agency Chemical Agent/Simulant Brainstorm Session, Nuclear Weapons Center, Kirtland Air Force Base, New Mexico, March 14, 2008.

Versatile Self-Energies for the Calculation of Electron Binding Energies and Dyson Orbitals, American Chemical Society National Meeting, New Orleans, Louisiana, April 10, 2008.

Propagators, Spectra and Bonding Concepts, Southeastern Theoretical Chemistry Association, Tuscaloosa, Alabama, May 16, 2008.

Tres aproximaciones al potencial de correlación no local y dependiente de la energía dentro de la teoría del propagador del electrón, XXXIV Congreso de Químicos Teóricos de Expresión Latina, Cetraro, Italy, July 5, 2008.

Efficient Propagator Methods for Calculations on Large Molecules, contributed lecture at American Chemical Society National Meeting, Philadelphia, Pennsylvania, August 21, 2008.

Mind Over Matter: The Ascent of Quantum Chemistry, Southwest Georgia Local Section, American Chemical Society, Americus, Georgia, October 2, 2008.

Electron Propagator Interpretations of Chemical Bonding: From Nucleotides to Double Rydbergs, Physical Chemistry / Chemical Physics Colloquium, Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado, October 10, 2008.

Tres métodos nuevos en la teoría ab initio del propagador del electrón, II Congreso de Fisicoquímica Teórica y Computacional, Choroní, Venezuela, December 4, 2008.

*Invited lecture unless indicated otherwise.