Prof. Patrick Bultinck's research focuses on developing advanced ab initio quantum chemistry methods and exploring chemical concepts through quantum mechanics. His work includes extending quantum chemical formulations of chemical concepts and making computationally challenging methods feasible. He specializes in large configuration interaction calculations and density matrix approaches. His research bridges theoretical chemistry, physics, and computational science.

Dr. Igor Rončević is a computational chemist renowned for his work on electron delocalization, aromaticity, and molecular electronics.

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Prof. Bo Durbeej's group conducts research in organic photochemistry, photobiology, and theoretical chemistry. Their focus includes designing efficient molecular motors and switches, and understanding photochemical mechanisms and photosensory proteins. They also develop improved methods for accurate excited-state modeling and study enzyme catalysis.

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Dr. Juwon Oh is an assistant professor in the Department of Chemistry at Kyungpook National University, South Korea. His research focuses on excited-state chemistry, particularly exploring aromaticity and antiaromaticity in porphyrin-based macrocycles. He investigates the electronic properties of these systems, contributing to advancements in photophysical materials and molecular electronics.

Prof. Igor Alabugin’s group is interested in discovery of new ways to control molecular structure and reactivity. Making organic molecules plays an important role in Prof. Igor Alabugin’s projects and a solid knowledge of organic synthesis is a critical foundation for every project in Prof. Igor Alabugin’s group. They also test the feasibility of ideas with quantum mechanical computations.​​​

Dr. Irene Casademont is a computational chemist whose research interest focus on the computational evaluation of ground- and excited-state aromaticity, particularly in porphyrinoid macrocycles, as well as photochemistry, and catalysis. Her expertise also encompasses advanced computational tools, inverse molecular design methods, and hands-on work with state-of-the-art transient electronic spectroscopies techniques.

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Prof. Jun Zhu’s group investigate the structure and bonding, reaction mechanisms in organic/organometallic chemistry via quantum chemical calculations/machine learning and test our predictions via tight collaborations with top experimental groups.

Dr. Victor Gray is a chemist specializing in the interaction of light with molecules, with a strong focus on developing new materials for solar energy applications. Since 2022, he has been leading his independent research group at Uppsala University, within the Division of Physical Chemistry at the Ångström Laboratory. His work explores the behavior of novel molecules under light excitation, aiming to advance sustainable energy technologies.

Dr. Josene M. Toldo’s work on applying quantum chemical methods, mixed quantum-classical dynamics, and QM/MM to investigate photoinitiated processes. Their research group focus on the development and application of computational methods to study reaction mechanisms, photochemistry and photophysics, and nonadiabatic processes in organic molecules and biomolecules in the gas phase and complex environments.

Prof. Debashree Ghosh's research focuses on theoretical chemistry, developing electronic structure methods using machine learning and matrix product states to study excited-state processes in complex environments.

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