Breaking the Symmetry Dilemma: Quantum Chemical Generator Coordinates for Novel Method Development

Design, implementation and application of a semantic computational toolbox for novel electronic structure method development

Doctoral project Aysun Yurttas

Doctoral project Carl Mensch

Doctoral project Daria Van Hende

Doctoral project Dieter Ghillemijn

Doctoral project Ewoud De Gussem

Doctoral project Farnaz Heidar Zadeh

Doctoral project Guillaume Acke

Doctoral project Helen van Aggelen

Doctoral project Jelle Vandenbussche

Doctoral project Matthew Chan

Doctoral project Niels Billiet

Doctoral project Stijn Fias

Doctoral project Taewon Kim

Doctoral project Tobias Huysentruyt

Doctoral project Vijayaraj Ramadoss

Magnetic Theory Response

Making a Quantum Computer talk Chemistry: Conceptual open Quantum Systems as insightful Tools for Quantum Computing approaches to Quantum Chemistry

New geminal wavefunctions: a mathematical exploration

Symmetry breaking and magnetic response

Doctoral project Caitlin Lanssens

Doctoral project Diederik Vanfleteren

Doctoral project Klaas Gunst

Doctoral project Paul Johnson

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

BOF-ZAP professorship in Quantum Chemistry

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

Novel techniques for the study of electron correlation 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

BOF-ZAP professorship in Quantum Chemistry