Search
CLOSETheoretical and Computational Chemistry and Materials Science
Dr. Emmanuel Klontzas, Dr. Nektarios Lathiotakis, Dr. Anastassia Rissanou, Dr. Aristotelis Sgouros, Dr. Emmanuel Simandiras, Dr. Odysseas Tsilipakos
The Theoretical and Computational Chemistry and Materials Science (TCCMS) direction in TPCI develops and applies advanced computational methods to study molecules, materials, bio- and meta-materials, and devices. Using multiscale approaches, we investigate the structural, dynamical, electronic, and photophysical properties of complex systems. Research within TCCMS advances fundamental understanding and supports the design of functional materials and (meta)devices for photonic, optoelectronic, energy, and biological applications.
Computer-aided design of carbon-based nanomaterials and hybrid open framework structures
Dr. Emmanouil (Emmanuel) Klontzas
Dr. Nektarios Lathiotakis
Molecular Simulations of Polymer-based and Bio-based Nanostructured Systems
Dr. Anastassia Rissanou
Multiscale Simulations of Polymer Interfaces and 2D Membranes
Theoretical Inorganic and Organometallic Chemistry
Dr. E. D. Simandiras
Theoretical and Numerical Methods for Photonics, Optoelectronics and Metamaterials
Dr. Odysseas Tsilipakos