CHE Seminars  


Speaker M. Natàlia D.S. Cordeiro
Department of Theoretical Chemistry, University of Porto (Portugal)
Topic Structure and Dynamics of Water near Coated Surfaces: A Molecular Dynamics Study
Date 13 January, 2014 (Monday)
Place L12
Time 4.00 PM - 5.00 PM


An introduction to the field of coated surfaces is accounted for,highlighting the interest and potential applications of such systems. Then, several results developed by the author's group using molecular dynamics simulations will be presented. These include the properties of interfacial water molecules near PEO-coated siloxane surfaces at different coverage densities, as well as the overall hydrophilicity of mixed SAM-coated surfaces at three different arrangements, among others.


M. Natàlia D.S. Cordeiro received her Ph.D. degree in Theoretical Chemistry at the Faculty of Sciences, University of Porto (Portugal). In 2003, she became an Associate Professor of Theoretical Chemistry at the same University, and heads now the Chemoinformatics in Materials Research group of lab REQUIMTE, the largest network in Chemistry and Chemical Engineering established in Portugal. Her research interests have been focused on the properties of ionic solutions, gas-liquid/liquid interfaces, nanoporous materials, polymers, biosensors, heterogeneous catalysis, and lately QSAR studies applied to drug discovery or toxicology problems. She has published 175 articles in international peer-reviewed SCI journals (h-index of 24), 4 book chapters and 1 book.