At the Informatics Institute in Istanbul Technical University, the fields of biomechanics and cardiovascular medicine are advanced through cutting-edge computational research. This team, which includes experts in computational fluid dynamics, cardiovascular mechanics, biomedical engineering and advanced simulation technologies, works to understand how vascular system operates. Close collaborations are maintained with doctors and other medical professionals to ensure that the research is translated into real-world solutions that improve human health and medical technologies.

Is there an interest in becoming a part of this interdisciplinary research team? Individuals are invited to explore academic and research opportunities in computational biomechanics, AI-CFD, developing VR applications, modeling, and simulation.

The CSEC² (Computational Science & Engineering, Computational Chemistry) Research Group at Istanbul Technical University brings together a dynamic, interdisciplinary team working at the interface of computational chemistry, biomolecular modeling, materials science, and data-driven scientific discovery.

Our research integrates quantum-mechanical methods, hybrid QM/MM simulations, molecular dynamics, multi-scale modeling, and machine-learning-enhanced approaches to address complex challenges in drug discovery, biomaterials design, and molecular medicine.

Theoretical Chemistry & Computational Design of Energy Materials
Our group conducts research in four major areas: Global Optimization, Crystal Structure Prediction, Energy & Environmental Sciences, and Theoretical Chemistry. In global optimization, we develop heuristic methods like genetic algorithm and apply them to interesting chemical or physical problems. The crystal structure prediction is one of these problems and for this purpose we developed a new method named as CrystAl Structure Prediction via Simulated Annealing (CASPESA). This method has already been applied to reveal the structures of many Energy Materials like metal borohydrides and metal ammines. In addition, we also employ periodic DFT computations to design new materials. The materials we interested are hydrogen storage, CO2 capture and heterogeneous catalysis. In Theoretical chemistry area, the computation of intermolecular interaction using high-accurate techniques is one of the most active research subjects of ours. By the help of these computations, we also develop force fields especially for biologically related systems like DNA. Furthermore, we extensively apply computational modelling and molecular dynamics simulation techniques to solve some chemical or physical problems such as drug delivery.