Computational & Theoretical Chemistry

Overview

Our group employs computational quantum chemistry techniques to investigate and predict light-matter interactions, as well as the energetics of metal clusters and organic systems. We are particularly interested in exploring their electronic structures and excited-state dynamics. Our research focuses on the accurate calculation of excited-state properties using approximate TDDFT formalisms, enabling a deeper understanding of their optical and photophysical behaviors.

Contact:

e-mail: fahri.alkan[ar]bilkent.edu.tr

Office SB-121

Department of Chemistry

Bilkent University

06800, Bilkent, Ankara, TURKİYE

Group news and events

We are looking for two MSc students to join our group as part of the TUBITAK-NSFC (China) collaboration project.

Our collaborative work with Prof. Sedat İNizamoğlu has been published in Advanced Functional Materials. Ultra-Effective Light-Activated Antibacterial Activity via Carboxyl Functionalized Graphene Quantum Dots and Films

İdil Yaycıoğlu and Aslıhan Ece Katar joins our group as undergraduate members.

Fahri Alkan gave a talk at the International Conference on Molecular Electronic Structure (MES 2024)

Our collaborative work with Prof. Di Sun has been published in Angewandte Chemie International Edition. Three in One: Three Different Molybdates Trapped in a Thiacalix[4]arene Protected Ag72 Nanocluster for Structural Transformation and Photothermal Conversion