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Speakers

Title of Talk

Dennis R. Salahub

Professor

University of Calgary

deMon quo vadis?

Patrizia Calaminici

Professor

Chemistry Department, CINVESTAV

Non-intuitive Transition State Search in Complex Reaction Mechanism

Andreas Koster

Professor

Chemistry Department, CINVESTAV

Angular Separated Hybrid Functionals I: Basic Theory

Tzonka Mineva

Research Director
ICGM, University of Montpellier

Review of Machine-Learned Interatomic Potentials for QM/MM Simulations

Mark E. Casida

Professor

Université Grenoble Alpes

Diagrammatic Multiplet Sum Method Density-Functional Theory

Pauline Colinet

Associate Professor

ICGM, University of Montpellier

Speeding Up Two-Center Coulombic Interactions in QM/MM Calculations through FMM methods

Mathias Rapacioli

Senior Research Scientist
Laboratoire de Chimie et Physique Quantiques 

Simulating Polycyclic Aromatic Hydrocarbons of astrophysical and experimental interest

Maicon Pierre Lourenço

Associate Professor
Universidade Federal do Espírito Santo

Quantum Active Learning for Material Design and Discovery

Kevin Oswaldo Pérez Becerra

Hybrid diagonal approximation in time-dependent auxiliary density functional theory

PhD Scholar
Center for Research and Advanced Studies

Lorena Chabeaud

PhD Scholar
ICGM, Université de Montpellier

Rigorous and transferable machine learning potential for gold nanoparticles of varying sizes and morphologies under hydrogen media 

Jorge Alberto Sanchez Alvarez

Single-Ended Method by Constrained Hypersphere Minimizations

PhD Scholar
CINVESTAV

Flor Andrea Olvera Rubalcava

Improvements in Response Hessian Calculation within Auxiliary Density Functional Theory

PhD Scholar
CINVESTAV

Jorge H. Hernandez

PhD Scholar
CINVESTAV

Angular Separate Hybrid Functionals: Parameterization and Validation

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