Ab initio study of wave function based and variationally optimized density matrices in relation to chemical bonding

Chemical property prediction using spectral-signature Kriging of molecular surface topology

Development and theoretical models fot the determination of absolute configuration of chiral molecules: new approaches based on a second generation dual PEM vibrational circular dichroism specttrometer

Discovering chemical rules and concepts using explainable deep learning.

Extending geminal-based electronic structure methods towards higher accuracy and applicability.

Extracting chemical concepts from quantum chemistry using maximum probability domains.

Fundamental study of kinetic energy and exchange-correlation densities: density matrices as starting point for new functionals in DFT.

Ghent-Antwerp European Chirality Center on Vibrational Optical Activity

Going against the current: dissecting the Nucleus-Independent Chemical Shift to reveal its fundamental flaws

Highly accurate and universally applicable geminals based electronic structure theory.

Making a quantum computer talk chemistry: conceptual open quantum systems as insightful tools for quantum computing approaches to quantum chemistry

Making a quantum computer talk chemistry: conceptual open quantum systems as insightful tools for quantum computing approaches to quantum chemistry

New challenges to many-body Green's function and advanced Dyson orbital theories: from orbital imaging to molecular quantum similarity in momentum space.

Novel spectroscopic structure identification based business expansion for EC2

Pre-allocated professorship in Quantum Chemistry

Solving fundamental problems faced by approximate Density Functional Theoretical methods using techniques from many-body theory.

Study of the role of molecular environments on conceptual density-functional theory descriptors using an efficient extension of the frozen-density embedding method

Theoretical Extensions and Chemical Characterization of Maximum Probability Domains.

Theoretical study of the atom in the molecule

Variationally optimized density matrices in relation to chemical bonding

3D Structural Platform for Chemical Excellence.

Properties of density matrices / Atoms in molecules

Quantum chemical aspects in electronic structure determination using semidefinite optimization of the the two-particle density matrix

Pre-allocated professorship in Quantum Chemistry