QIF 2023
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3rd QUANTUM INTERNATIONAL FRONTIERS 2023
Speakers
Frontier lectures
Weitao Yang
Duke University, USA
Fractional Charges and Spins: Where are they and How to use them for DFT development
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Pedagogical lectures
Andreas Savin
Sorbonne Université
Are density functional approximations following density functional theory?
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Nikitas Gidopoulos
Durham University
Density functionals of spin-density accuracy for open shells
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Tomasz Wesołowski
University of Geneva
Constrained minimisation of the Hohenberg-Kohn energy functional as a basis for multi-scale simulations: challenge for theory and opportunities for applications
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Pavlo Dral
Xiamen University
Practical Introduction to Artificial Intelligence in Quantum Chemistry
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Christian Schilling
Ludwig-Maximilians-Universität München
Geometric Aspects of Functional Theories
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Mario Piris
Donostia International Physics Center
GNOF: Balanced treatment of electron correlation
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Xiaosong Li
University of Washington
Relativistic Many-Body Electronic Structure Theory: Approaching the Limit of Dirac Equation
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Alessandro Genoni
University of Lorraine
About the connections and possible contaminations between quantum chemistry and quantum crystallography
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Invited lectures
David Casanova
Donostia International Physics Center
DFT energy corrections to multiconfigurational wavefunctions
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Wan Zhen Liang
Xiamen University
Exploring Molecular Photophysical and Photochemical Properties Using Linear Response Time-Dependent Density Functional Theory with Classical Embedding
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Ireneusz Grabowski
Nicolaus Copernicus University in Toruń
Orbital-Dependent Functionals in Kohn-Sham DFT - Practical Realization of ab initio KS-DFT
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Andrew Burgess
University of Dublin
Capturing static correlation using a new DFT+U-type functional
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Marco Caricato
University of Kansas
First Principles Simulations of the Optical Rotation in Oriented Systems with Periodic Density Functional Theory
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Sara Giarrusso
Université Paul Sabatier
Exact Excited-State Functionals of the Asymmetric Hubbard Dimer
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Peter Knowles
Cardiff University
Perturbation-adapted Perturbation Theory
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Libor Veis
J. Heyrovsky Institute of Physical Chemistry
Pushing the limits of computations of strongly correlated molecules with the density matrix renormalization group method
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Pierre-Francois Loos
Université de Toulouse
A similarity renormalization group approach to Green’s function methods
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Paul Ayers
McMaster University
Chemical Reactivity Indicators When There Is Strong Electron Correlation
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Michał Lesiuk
University of Warsaw
Approximate coupled cluster models based on tensor decomposition techniques
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Alexander Sokolov
Ohio State University
Accurate Green’s Functions and Reduced Density Matrices From Algebraic Diagrammatic Construction Theory
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Shuhua Li
Nanjing University
Block-correlated coupled cluster methods for strongly correlated systems
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Peter Nagy
Budapest University Of Technology And Economics
Accurate and efficient CCSD(T)/CBS up to 1000 atoms: optimization of the local natural orbital approach and large-scale applications
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Gabriela Sanchez-Diaz
McMaster University
Adiabatic connection electron correlation from alternative ERPA channels: application to small molecules dissociation
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Yi Zhao
Xiamen University
Effect of excitation and charge transfer states on vibrationally-resolved electronic spectra in organic aggregates
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Carlos Cardenas
University of Chile
Electron Localization (Function) in the Excited State with Single Determinant Methods
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Hans Jørgen Aagaard Jensen
University of Southern Denmark
Multiconfiguration Short-Range Density Functional Theory: Status and Perspectives
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Pina Romaniello
Université de Toulouse
Photoemission spectra from the Extended Koopmans’ theorem: capturing weak and strong correlation
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Eugene DePrince
Florida State University
N-Representability Errors in Truncated Equation-of-Motion Coupled-Cluster Methods
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Yang Guo
Shandong University
Multiconfigurational self-consistent field theory for large active space and spin-orbit coupling
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Rafał Podeszwa
University of Silesia
New developements in three-body non-additive intermolecular interactions
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Małgorzata Biczysko
Shanghai University
Computational protocols for molecular structure and spectroscopy
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Piotr Paneth
ICRI-BIOM, Lodz University of Technology
No title
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Sizhuo Yu
Nanyang Technological University
N-representable one-electron reduced density matrix refinement at finite temperatures
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Julia Liebert
Ludwig-Maximilians-Universität München
Density matrix functional theory for excited states
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Valerii Chuiko
McMaster University
Can one hear properties of the molecule?
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Marco Nascimento
Federal University of Rio de Janeiro
DENSITY MATRICES AND THE INTERFERENCE ENERGY ANALYSIS
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James Anderson
National Autonomous University of Mexico
Relativistic Effects on Atoms In Molecules: Theory and Properties for 1- and 2-Component Hamiltonians
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Julia Contreras-Garcia
Sorbonne Université
New developments in the local analysis of non-covalent interactions
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Samantha Jenkins
Hunan Normal University
Next Generation QTAIM: Beyond Energetic and Scalar Measures
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Weitao Yang
Andreas Savin
Nikitas Gidopoulos
Tomasz Wesołowski
David Casanova
Wan Zhen Liang
Ireneusz Grabowski
Andrew Burgess
Marco Caricato
Sara Giarrusso
Pavlo Dral
Peter Knowles
Libor Veis
Pierre-Francois Loos
Paul Ayers
Michał Lesiuk
Alexander Sokolov
Shuhua Li
Peter Nagy
Gabriela Sanchez-Diaz
Yi Zhao
Carlos Cardenas
Hans Jørgen Aagaard Jensen
Christian Schilling
Pina Romaniello
Mario Piris
Eugene DePrince
Yang Guo
Piotr Paneth
Xiaosong Li
Małgorzata Biczysko
Rafał Podeszwa
Sizhuo Yu
Julia Liebert
Valerii Chuiko
Marco Nascimento
Alessandro Genoni
James Anderson
Julia Contreras-Garcia
Samantha Jenkins
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