Talks in Conferences
2023
- X-ray Restrained Wavefunction Approach: Latest Achievements and Future Challenges
Baltimore (Maryland, USA), July 7-11, 2023 (Invited Talk)
- X-ray Restrained Wavefunction Approach: a Quantum Crystallographic Tool to Extract Exchange-Correlation Potentials from X-ray Diffraction Data?
Bratislava (Slovakia), June 26 - July 1, 2023 (Invited Oral Communication)
- About the connections and possible contaminations between quantum chemistry and quantum crystallography
Łódź (Poland), June 21-24, 2023 (Invited Talk)
- Determination of Noncovalent Interactions in Biosystems through the Use of Extremely Localized Molecular Orbitals
Strasbourg (France), March 31, 2023 (Invited Talk)
2022
- Fully quantum mechanical embedding methods based on localized molecular orbitals
Heraklion (Greece), October 26-29, 2022 (Invited Talk)
- Refining Structures of Molecular Crystals through Modern Methods of Quantum Crystallography
Trieste (Italy), September 12-15, 2022 (Invited Keynote Lecture)
- State of the Art and Perspectives in the Search for Experimentally Constrained Wavefunctions
Nancy (France), August 20-22, 2022 (Invited Lecture)
- Advancements and Perspectives in the X-ray Constrained Wavefunction Method
Aarhus (Denmark), June 12-26, 2022 (Invited Talk)
2021
- Multi-determinant X-ray restrained wavefunction approaches
Prague (Czech Republic), August 14-22, 2021 (Invited Talk)
- Advanced Methods for the Determination of Wavefunctions from Experimental X-ray Diffraction Data
Grenoble (France), June 29 - July 2, 2021 (Invited Talk)
2020
- QM/ELMO Method: a Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals
Warsaw (Poland), September 1-4, 2020 (Invited Talk)
2019
- Quantum Crystallography for Macromolecules: the HAR-ELMO Method
Vienna (Austria), August 18-23, 2019
- Exploiting Quantum Chemistry to Refine Crystallographic Structures of Proteins and Polypeptides
Göttingen (Germany), July 21-26, 2019 (Invited Talk)
- X-ray Constrained Wavefunction Analysis
Bremen (Germany), July 14-19, 2019 (Invited Practical Workshop)
- Quantum crystallography and its application to macromolecules
Lecco (Italy), June 10-14, 2019 (Invited Lecture)
- HAR-ELMO: a new quantum chemistry-based technique to refine crystallographic structures of proteins
Rhodes (Greece), May 1-5, 2019 (Invited Talk)
2018
- Exploiting libraries of Extremely Localized Molecular Orbitals to refine protein crystallographic structures
Metz (France), August 28-31, 2018
- Libraries of Extremely Localized Molecular Orbitals and their coupling to Hirshfeld Atom Refinement
Halifax (Nova Scotia, Canada), July 8-13, 2018 (Invited Talk)
- Theoretical and X-ray Constrained Extremely Localized Molecular Orbitals
Erice (Italy), June 1-10, 2018 (Invited Practical Workshop)
- Extremely Localized Molecular Orbitals in Quantum Crystallography
Erice (Italy), June 1-10, 2018 (Invited Lecture)
- Coupling Hirshfeld Atom Refinement with libraries of Extremely Localized Molecular Orbitals to refine protein crystallographic structures
Louvain-la-Neuve (Belgium), March 23, 2018 (Invited Talk)
- Quantum Crystallography: original definition and connections to current research developments
Essen (Germany), March 5-8, 2018 (Invited Talk)
2017
- Libraries of Extremely Localized Molecular Orbitals
Hyderabad (India), August 21-28, 2017 (Invited Talk)
- Quantum Crystallography: Current Developments and Future Perspectives
Nancy (France), June 19-20, 2017
2016
- Recent Advances in the Determination of “Experimental" Wave Functions
Kyoto (Japan), October 26-28, 2016 (Invited Talk)
- Recent Advancements in the Development of X-ray Constrained Wave Function Strategies
Basel (Switzerland), August 28 - September 1, 2016 (Invited Talk)
- Searching for “Experimental" Wave Functions: Past, Present and Future
Nancy (France), August 23-26, 2016 (Invited Lecture)
- Can the X-ray constrained wave function methods extract electron correlation effects on the electron density?
Warsaw (Poland), June 26 - July 1, 2016
- X-ray Constrained Wave Functions to Extract Electron Correlation and Crystal Field Effects: Current Investigations and Perspectives
Nancy (France), June 20-23, 2016 (Invited Talk)
- New Insights and Perspectives in the Quest for “Experimental" Wave Functions
Athens (Greece), March 17-20, 2016 (Invited Talk)
2015
- X-Ray constrained wave function: new developments and insights
Santa Margherita di Pula (Italy), June 7-12, 2015
2014
- Looking for “Experimental Wave Functions”: Extraction of Extremely Localized Molecular Orbitals from X-Ray Diffraction Data
Amasya (Turkey), September 1-5, 2014 (Invited Talk)
- Extracting Extremely Localized Molecular Orbitals from X-Ray Diffraction Data
Montreal (Canada), August 5-12, 2014 (Invited Talk)
2013
- Extremely Localized Molecular Orbitals from X-Ray Diffraction Data
Sopron (Hungary), September 1-5, 2013
2010
- Unraveling the resistance shown by the Subtype B / HIV Protease to currently known inhibitors by means of computational studies
San Vito di Cadore (Italy), September 9-11, 2010
Invited Seminars
- Methods Based on Localized Molecular Orbitals for Quantum Chemistry and Quantum Crystallography
Göttingen (Germany), November 14, 2023
- Modern Methods of Quantum Crystallography
Milan (Italy), June 1, 2023
- Development of Methods with a Strong Interplay between Quantum Chemistry and X-ray Diffraction Measurements
Organized by the University of Warsaw, the ECA/SIG-02 and the IUCr Commission on Quantum Crystallography
Warsaw (Poland), April 28, 2022 (Webinar)
- Development and Application of Quantum Chemistry and Quantum Crystallography Methods
Milan (Italy), November 25, 2021
- Development of Computational Methods for Quantum Chemistry and Quantum Crystallography
Rome (Italy), May 24, 2021 (Webinar)
- QM/ELMO Method: A Multi-Purpose Embedding Technique Based on Extremely Localized Molecular Orbitals
Marseille (France), April 1, 2021 (Webinar)
- Development and Application of Methods within the Original Definition of Quantum Crystallography
Hamburg (Germany), February 10, 2020
- HAR-ELMO: a quantum chemistry-based method to refine crystal structures of polypeptides and proteins
Pavia (Italy), December 4, 2019
- Libraries of Extremely Localized Molecular Orbitals: new tools to refine protein crystallographic structures?
Pavia (Italy), November 14, 2018
- Libraries of Extremely Localized Molecular Orbitals: Preliminary Investigations and Future Perspectives
Bremen (Germany), December 14, 2017
- Libraries of Extremely Localized Molecular Orbitals
Warsaw (Poland), October 27, 2017
- X-ray Constrained Wave Function Methods: Recent Studies and New Perspectives
Nagoya (Japan), November 1, 2016
- New Insights and Perspectives in the Development of X-ray Constrained Wave Function Methods
Milan (Italy), September 28, 2016
- Looking for X-ray Constrained Wave Functions: the Case of the Extremely Localized Molecular Orbitals
Buenos Aires (Argentina), November 9, 2015
- Extracting Extremely Localized Molecular Orbitals from Experimental X-Ray Diffraction Data
Strasbourg (France), May 19, 2015
- Extremely Localized Molecular Orbitals
Metz (France), February 28, 2014
- Extremely Localized Molecular Orbitals: Past, Present and Future Strategies
Bern (Switzerland), December 12, 2013
- Introduction to Quantum Chemistry: from the Basic Approximations to New Methods for the Study of Large Systems
Milan (Italy), May 15, 2012
- Strategies to investigate energetic and dynamic properties in proteins
Nancy (France), December 2, 2010
- Computational study of the resistance shown by the Subtype B / HIV- 1 protease to currently known inhibitors
Tampa (Florida, USA), February 17, 2010
- Extremely Localized Molecular Orbitals: Methods and Applications
Gainesville (Florida, USA), January 31, 2007
- Development and application of methods based on Extremely Localized Molecular Orbitals
Nancy (France), July 5, 2006