Prof. Henrik Ottosson’s research is broadly directed to excited state aromaticity and antiaromaticity. Since more than 20 years, his group explores and expands the frontiers of this area, investigating both fundamental aspects and utilizing the concepts in numerous applications. The group also has a wider interest in solar-light driven photochemistry, and together with biotechnology colleagues develop a photobiological-photochemical route to sustainable aviation fuels.

Prof. Scott C. Blanchard’s research explores structure-function relationships in macromolecular assemblies using genetic, biochemical, and spectroscopic techniques.​​​​​​​​​​​​​​​​​​

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Prof. N. Basarić specializes in synthetic organic chemistry and photochemistry, focusing on reaction mechanisms and supramolecular systems with potential biological applications.

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Prof. Shohei Saito's research focuses on monitoring and controlling material properties through nanoscale molecular design. The next goal of his group is to bridge the gap between molecular science and materials engineering using photochemistry, 3D printing, and generative AI.

Prof. Yoshimitsu Itoh's research focuses on interfacial molecular engineering—designing and controlling molecular interfaces to tune material properties. By leveraging synthetic organic chemistry, polymer science, supramolecular chemistry, and electrochemistry, his group develops new materials driven by interfacial phenomena.​​​​

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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.

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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.​​​

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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.

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Dr. Florian Glöcklhofer’s group explore new concepts in the design and synthesis of functional aromatic molecules that can be used as organic battery electrode materials and in organic electronics. Their research is not limited to a specific compound class but covers conjugated small molecules, macrocycles and polymers.

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. Cate Anstöter develops electronic structure methods to study photon- and electron-driven processes, focusing on metastable anionic resonances. Her work aims to model their energetics and lifetimes using non-Hermitian approaches.

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Prof. Jinquan Chen’s research group deals with ultrafast spectroscopy in DNA photophysics and photochemistry, ultrafast imaging, photo-catalytic nanomaterials, interfacial electron transfer, and nonlinear spectroscopy.

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Prof. Ori Gidron’s group explores novel electronic and optical properties of conjugated organic molecules and polymers. Their focus includes curved aromatic molecules as chiral organic semiconductors and chiroptical materials. They also study conjugated macrocycles and their optoelectronic behavior. 

Prof. Tomáš Slanina’s group develops small organic molecules capable of multimodal and reversible activation by light. His team designs novel photoactivatable compounds based on dynamic covalent photochemistry, photocages, and redox-active stable radicals. Their goal is to achieve advanced control over photochemically driven systems used in bioimaging and materials sciences.

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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.

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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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Prof. Bern Kohler investigates the excited states of nucleic acids and melanin pigments using ultrafast laser spectroscopy. His research also explores nanomaterials for solar energy conversion and photocatalysis.

Prof. Anna Gudmundsdottir studies photochemistry, focusing on triplet nitrenes and biradicals. Her work advances sustainable C–N bond formation, photoremovable protecting groups, and sunscreens. She also explores organic azido crystals for light-driven devices and explosives.

Prof. Mercedes Alonso Giner’s research exploits modern computational tools and conceptual methods towards the understanding and prediction of new organic or inorganic molecules as well as the design of sustainable chemical processes. Some of her recent interests include molecular switches, expanded porphyrins, main group metal catalysis, chemical systems under pressure and mechanical forces, supramolecular gels and single-molecule molecular electronics.

Prof. Jyotishman Dasgupta investigates reaction mechanisms in photoactive systems and protein dynamics in enzyme action. His research also focuses on designing robust photocatalytic materials for sustainable energy.

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Prof. Ryohei Kishi is interested in electronic structures, intermolecular interactions in the ground and excited states, optical response properties, exciton relaxation dynamics, and quantum spin functionalities of open-shell π-conjugated molecules. His group is also working to develop computational and analysis methods to treat these complex systems and phenomena and to extract useful information for mechanism elucidation, molecular design, and control of physical properties.

Prof. Jishan Wu’s group investigate novel compounds that possess distinctive electronic properties and topological structures. Their research topics include, Open-shell singlet diradicaloids, 2D and 3D aromaticity, nanographenes, topological molecular carbons, quantum information processing etc.

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Development of chemical reactions using light energy, which exists abundantly in nature. Development of drugs that deliver biologically active substances such as anticancer drugs by light irradiation. Elucidation of chemical reaction mechanisms based on direct observation of unstable chemical species intervening in chemical reactions.​​​​

Prof. Martin Peeks’ research group combine synthesis, computational chemistry, programming, and spectroscopy to understand the properties of pi-conjugated organic molecules. They design molecules using computational chemistry, make them using organic synthesis, and then study them with advanced spectroscopies.

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Dr. Yusuke Yoneda's research focuses on chemical reaction dynamics in condensed phases. He investigates ultrafast processes such as electron transfer, energy transfer, and photosynthetic reactions. By employing ultrafast and correlation spectroscopy techniques, he aims to elucidate transient phenomena and molecular fluctuations that are critical to the performance of photofunctional materials and biological energy conversion.

Our research group focuses on various aspects of Physical Organic Chemistry and Biophysical Chemistry to understand the effect of light on organic small molecules and biomolecules. Synthetic efforts to modulate the rate of charge recombination that is monitored using ultrafast spectroscopic techniques is one of the primary interests in our group at IISER TVM​​

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

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​Prof. Daniele Leonori's research focuses on the development of novel catalytic methods for chemical synthesis. His team explores nitrogen radicals, cobalt-mediated desaturation, halogen-atom transfer, and boryl radicals to enable new reactivity patterns. These strategies aim to create efficient, selective transformations using radical intermediates in organic synthesis. Recently, he has also published some interesting photochemistry papers using excited state antiaromaticity effects (ESAA).