Dr. Shaheen Fatima
Ph.D. in Memorial University of Newfoundland
St. John’s, Newfoundland, Canada
Molecular modeling of corrosion mechanism and control measures.Computational modeling of chemical and biochemical systems: QM/MM calculations - DFT (density functional theory), PCM and SMD calculations, molecular simulations (molecular dynamics), quantum chemical education, electronic/optical properties, protein-ligand binding.
1. Shaheen Fatima, Dr. Faisal Khan. “Application of Molecular modelling in preventing and controlling degradation” at Corrosion under insulation project progress workshop, 2014, Memorial University, St. John's, (NL), Canada (oral presentation).
2. Shaheen Fatima, Dr. Erika F. Merschrod S.. “Practical Models for Ion-Collagen Binding” at 13th Atlantic Theoretical Chemistry Symposium (ATCS) 2013, Memorial University, St. John's,(NL), Canada (oral presentation)
3. Shaheen Fatima, Muyi Xu, Dr. Erika F. Merschrod S.. “Predicting and understanding non-linear optical (NLO) properties in organic molecules” at ChemCon 2013, Memorial University, St. John's (NL), Canada (oral presentation)
4. Shaheen Fatima, Dr. Erika F. Merschrod S.. “Role of cations (Na+ and K+) in collagen aggregation” at ATCS 2008, Sydney (NS), Canada (oral presentation)
5. Shaheen Fatima, Guang Chen, Dr. Yuming Zhao, Dr. Erika F. Merschrod S. “Modeling and predicting optical properties in pi-extended tetrathiafulvalene derivatives” at ATCS 2007 , St. John's, NL, Canada (oral presentation)
6. Nadine S. Hewitt, Shaheen Fatima, Christopher G. Flinn, Erika F. Merschrod S.. “Binding of lead to amino acids” at ATCS 2007 , St. John's, NL, Canada
7. Shaheen Fatima, William A. Fowler, Kristin M. Poduska, Erika F. Merschrod S.. “H-doping effects on surface states of ZnO nanoparticles” at CSTC 2007, St. John's, NF, Canada (poster presentation)
8. Abdelmeneim El-Dali, Hongchao Li, Shaheen Fatima, Erika F. Merschrod S, David Thompson. “The effects of Halides on ESIPT in 2,5-(1H-benzoimidazol-2-yl)-benzene-1,4-diol(1)” Canadian Chemistry Conference 2006 (poster presentation)