Talks and seminars

2026
Excited-state Properties beyond the Excitation Energy with Orbital-Optimized Density Functional Calculations
Seminar, Chemistry biochemistry seminar series, University of Iceland (Apr)
Speaker: Lorenzo Restaino

Orbital-Optimized Density Functional Calculations of Charge Transfer and Rydberg Excited States
Seminar, THEOR CHEM group, Leiden University (Feb)
Speaker: Gianluca Levi

Orbital-Optimized Density Functional Calculations of Charge Transfer and Rydberg Excited States
Seminar, International Centre for Theoretical Physics (ICTP), Trieste (Feb)
Speaker: Gianluca Levi

2025
Orbital-Optimized Density Functional Calculations of Charge Transfer and Rydberg Excited States
Seminar, Laboratoire de Chimie Quantique (LCQ), Strasbourg University (Dec)
Speaker: Gianluca Levi

Orbital-Optimized Density Functional Calculations of Charge Transfer and Rydberg Excited States
Seminar, Condensed Matter Seminar Series, Scuola Internazionale Superiore di Studi Avanzati (SISSA), Trieste (Nov)
Speaker: Gianluca Levi

Variational density functional calculations of excited electronic states
Talk, Symposium on electronic structure calculations, University of Iceland (Aug)
Speaker: Gianluca Levi

Orbital-optimized density functional calculations of challenging charge transfer excitations
Talk, 13th triennial congress of the World Association of Theoretical and Computational Chemists (WATOC), Oslo (June)
Speaker: Elli Selenius

Unravelling photoinduced charge and atomic structural dynamics: Advances in excited state modelling and ultrafast X-ray techniques
Seminar, Physical and Theoretical Chemistry Laboratory, University of Oxford (Apr)
Speaker: Gianluca Levi

2024
Modeling excited states from light absorption to photoinduced molecular dynamics: An orbital-optimized density functional approach
Seminar, Center for Interstellar Catalysis, InterCat, online (Dec)
Speaker: Gianluca Levi

Direct orbital optimization for variational excited state calculations and self-interaction correction in GPAW
Talk, GPAW 2024 developer meeting, online (Oct)
Speaker: Gianluca Levi

Orbital-optimized density functional calculations of challenging electronic excitations in molecules, molecules in solution, and solids
Seminar, Department of Chemical and Pharmaceutical Sciences, University of Trieste (Sep)
Speaker: Gianluca Levi

Orbital-optimized density functional calculations of challenging electronic excitations in molecules, molecules in solution, and solids Seminar, Department of Molecular Sciences and Nanosystems, Ca’ Foscari University of Venice (Sep)
Speaker: Gianluca Levi

Orbital-optimized density functional calculations of challenging electronic excitations in molecules, molecules in solution, and solids Seminar, Department of Applied Science and Technology, Polytechnic University of Turin (Sep)
Speaker: Gianluca Levi

Density Functional Calculations of Challenging Electronic Excitations
Talk, 20th International Conference on Density Functional Theory and its Applications (DFT 2024), École Nationale Supérieure de Chimie, Paris (Aug)
Speaker: Gianluca Levi

Orbital-optimized density functional calculations of excited electronic states
Talk, Progress in Ensemble Density Functional Theory: Opportunities and Challenges (EDFT workshop), Durham University (July)
Speaker: Gianluca Levi

Saddle Point Search Algorithms for Variational Density Functional Calculations of Excited Electronic States with Self-Interaction Correction
Talk, Platform for Advanced Scientific Computing (PASC ‘24), Zurich (June)
Speaker: Yorick Leonard A. Schmerwitz

Towards imaging the photoinduced dynamics of solvated organic molecules with ultrafast X-ray scattering
Talk, DanScatt XFEL workshop, University of Aarhus (May)
Speaker: Gianluca Levi

Calculating Challenging Electronic Excitations in Molecules and Solids by Converging on Saddle Points of the Electronic Energy Surface
Talk, 20th ETSF Young Researchers’ Meeting, Université Paul Sabatier, Toulouse (May)
Speaker: Gianluca Levi

Challenging electronic excitations calculated by converging on saddle points of the electronic energy surface
Talk, American Physical Society March meeting, Minneapolis (Mar)
Speaker: Gianluca Levi

2023
Simulating Solar Energy Conversion at the Atomic Scale Using the Icelandic High Performance Computing Cluster Talk, Icelandic research e-infrastructure (IREI) conference, University of Iceland (Nov)
Speaker: Gianluca Levi

Unraveling the interplay of ultrafast excited state and solvation dynamics with multiscale modeling
Talk, 15th Femtochemistry Conference, Freie Universität Berlin (Aug)
Speaker: Gianluca Levi

Improving density functional calculations of intramolecular charge transfer excited states
Talk, 19th ETSF Young Researchers’ Meeting, Universidad de Zaragoza (Jun)
Speaker: Elli Inkeri Selenius

Calculations of excited electronic states using saddle point search algorithms
Talk, 19th ETSF Young Researchers’ Meeting, Universidad de Zaragoza (Jun)
Speaker: Yorick Leonard A. Schmerwitz

Density functional calculations of excited states with orbital optimization using saddle point search methods
Talk, Workshop on Emerging Excited State Methods in Electronic Structure Methods, Toulouse (Apr)
Speaker: Gianluca Levi

New strategies for density functional calculations of excited states and application to ultrafast photorectaions in solution
Seminar, Laboratoire de Chimie et Physique Quantiques (LCPQ), Université Paul Sabatier, Toulouse (Jan)
Speaker: Gianluca Levi

2022
Direct orbital optimization strategies for variational density functional calculations of excited electronic states
Talk, Conference on Scientific Computation and Differential Equations (SciCADE), University of Iceland (Jul)
Speaker: Gianluca Levi

Variational density functional calculations of excited states, even at conical intersections and avoided crossings with direct orbital optimization and mode following
Talk, Conference on Scientific Computation and Differential Equations (SciCADE), University of Iceland (Jul)
Speaker: Yorick Leonard A. Schmerwitz

Modelling photoinduced molecular dynamics with solvation effects via QM/MM and excited-state orbital optimized density functional calculations
Talk, American Chemical Society March meeting, San Diego (Mar)
Speaker: Gianluca Levi

Direct orbital optimization methods for variational density functional calculations of excited electronic states
Talk, American Physical Society March meeting, Chicago (Mar)
Speaker: Gianluca Levi

2021
Excited-state and solvent dynamics during photoinduced molecular reactions in solution
Seminar, Chemistry-Biochemistry Seminar Series, University of Iceland (Nov)
Speaker: Gianluca Levi

QM/MM and excited-state orbital optimized density functional calculations as a route to simulate photoinduced molecular dynamics in solution
Seminar, Quantum Molecular Dynamics (QMD) seminar series, University of Edinburgh, online (Nov)
Speaker: Gianluca Levi

Excited-state direct orbital optimization for molecular dynamics simulations of photoinduced reactions
Talk, GPAW 2021: Users and Developers Meeting, online (June)
Speaker: Gianluca Levi

Exploring excited-state and solvation dynamics through multiscale atomistic simulations
Talk, Quantum Dynamics and Spectroscopy of Functional Molecular Materials, Les Houches workshop (May)
Speaker: Gianluca Levi

2020
Variational density functional calculations of excited states via direct optimization of orbitals in GPAW
Seminar, Computational Atomic-scale Materials Design (CAMD) section, Department of Physics, Technical University of Denmark (Nov)
Speaker: Gianluca Levi

Variational calculations of excited states via direct optimization of the orbitals in DFT
Talk, New horizons in density functional theory Faraday Discussion conference, online (Sep)
Speaker: Gianluca Levi

2019
Making movies of atoms in motion during photo-fueled molecular reactions
Seminar, Young Academics of Háskóli Ísland (YAHI) seminar series, University of Iceland (Nov)
Speaker: Gianluca Levi

2018
Direct Dynamics Simulations Reveal the Ultrafast Structural Relaxation of Photocatalytic Metal Complexes in Solution
Seminar, chemistry-biochemistry seminar series, University of Iceland (Nov)
Speaker: Gianluca Levi

QM/MM Direct Dynamics Simulations Reveal the Ultrafast Photorelaxation of Transition Metal Complexes in Solution
Seminar, Department of Materials Science, University of Milano-Bicocca (Aug)
Speaker: Gianluca Levi

2017
Ultrafast Direct Dynamics Simulations of Transition Metal Complexes for Solar Energy Conversion
Talk, 22nd International Symposium on Photochemistry and Photophysics of Coordination Compounds (ISPPCC), Oxford (July)
Speaker: Gianluca Levi