EventAssoc. Prof. Seda Keskin Avcı

Molecular Simulations of Metal Organic Frameworks: From Energy to Biomedical Applications

sedakeskinavci-molecular simulations

We have witnessed the quick growth of research on metal organic frameworks (MOFs) in the last decade. MOFs are considered as a new group of nanoporous materials with exceptional physical properties such as low densities, large surface areas and high porosities which make them promising materials for a large variety of applications. MOFs have been recently used for gas storage, gas separation, sensing, catalysis, drug storage and delivery. The large variety in topologies and chemical functionalities of MOFs offer a large number of materials that can exhibit extraordinary performances compared to traditional porous materials. Considering the large number of existing materials, it is not practically possible to test every single MOF material for a target application using purely experimental manners. Our research group uses molecular simulation techniques to perform large-scale screening of MOFs and identification of the best performing materials for a desired application. In my talk, I will show our recent results on molecular modeling of MOFs for gas storage, gas separation, adsorbent and membrane design and for drug storage and drug delivery. I will also discuss the relations between structural properties of MOFs and their performances to provide structure-property relationships that can serve as a map for experimental synthesis of new MOFs with better performances.

About The Speaker


Assoc. Prof. Seda Keskin Avcı was born in Istanbul on April 28, 1982. She received her undergraduate and MSc. degrees from the Department of Chemical Engineering, Bogazici University in 2004 and 2006, respectively. She completed her PhD at the Department of Chemical and Biomolecular Engineering, Georgia Institute of Technology in 2009. Her PhD thesis on the atomistic modeling of nanoporous membranes received the Sigma Xi Best Doctoral Dissertation Award and Chemical and Biomolecular Engineering Outstanding PhD Thesis Award. In 2010, she was appointed as an assistant professor of Chemical and Biological Engineering at Koç University where she became an associate professor in 2013.

Her research is on molecular modeling of new generation nanoporous materials for energy applications such as gas storage and separation. She published 77 articles in peer-reviewed international journals and received over 3500 citations. She made >90 presentations at international and national conferences, wrote 6 book chapters and granted a patent. She was awarded with L’Oreal Turkey Young Women in Science Award in 2011, Turkey Academy of Sciences Distinguished Young Scientist Award (GEBIP) in 2013, TUBITAK Encouragement Award in 2013, Koç University Outstanding Faculty Award in 2014, Academy of Sciences The Young Scientists Award (BAGEP) in 2014, the Science Heroes Association Scientist of the Year Award in 2014, ODTÜ Prof. Dr. Mustafa N. Parlar Foundation Research Incentive Award in 2015, FABED Eser Tümen Outstanding Achievement Award in 2016. She recently received the European Research Council’s ERC-Starting Grant-2017, the first grant awarded to a woman engineer in Turkey. Dr. Keskin Avcı is a member of the American Institute of Chemical Engineers and American Nano Society. She is married and has a daughter.