Dr. Niki Vergadou holds a Diploma in Physics (1999) from the University of Ioannina, Greece, an MSc Degree in Polymer Science and its Applications (2002) and a PhD (2006), both from the Chemistry Department of the University of Athens, Greece. Her work involves the development of hierarchical methods and algorithms for the molecular simulation of complex systems including macromolecular, graphitic, ionic liquid systems and the prediction of a wide range of properties. She has experience in the implementation of a multitude of methodologies such as transition state theory of infrequent events (TST), molecular dynamics (MD) and Monte Carlo (MC) simulations, coarse-grained (CG) models and Kinetic Monte Carlo techniques (KMC). She has extensively participated in international projects and is involved in the supervision of MSc and PhD students in MTMML. She is currently work-package leader (WP1) in the project "Novel Ionic Liquid and Supported Ionic Liquid Solvents for Reversible Capture of CO2 (IOLICAP)” [FP7 on ENERGY] and participates in two other ongoing EU funded projects of MTMML (CO2QUEST, ShaleXenvironmenT).