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Recent News

Updates from our research group

March 11, 2025

Summer 2025 Internship Position

Join Our Research Group! We are offering two Bachelor/Master thesis projects at the cutting edge of Electron Correlation and Aromaticity:

October 02, 2024

Group visit: Lexin Ding

Short stay visit: Lexin Ding: Earlier this month, we had the thrilling visit of Lexin Ding, from the Ludwig Maximilian University of Munich. Lexin showed...

September 25, 2023

Major Funding Boost for Cutting-Edge Research in Computational Chemistry

Welcome Maria and Petru: Our New Summer Interns! We are thrilled to announce a significant milestone for our research group! The Agencia Española de Investigación...

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Research Themes

Quantum Chemistry Development and Computational Chemistry

DFT & DMFT

Development of Density and Density-Matrix Functionals Methods

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Electron Correlation

Separation of strong and weak correlations, modelling dispersion effects.

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Wavefunction Analysis

Aromaticity, Chemical Bonding Descriptors, Electron Sharing Indices (ESIs)

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Molecular Properties

Development of Non-Linear Optical Properties, NLO switches with large vdW interaction

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