Abdullah Ozkanlar

Research Interests

Atomistic simulations and data science to characterize the structure of complex solutions. Applications of graph theory in the study of intermolecular interaction networks. Computational electronic structure of water oxidation catalysts.

Selected Publications

Abdullah Ozkanlar “Intermolecular interactions in binary mixtures of formamide and acetone”, Fluid Phase Equilibria, 2022, 560, 113517. DOI: 10.1016/j.fluid.2022.113517

Abdullah Ozkanlar “Intermolecular interaction network in liquid acetone”, Fluid Phase Equilibria, 2022, 553, 113289. DOI: 10.1016/j.fluid.2021.113289

Abdullah Ozkanlar “Structure of the Hydrogen-Bond Network in Binary Mixtures of Formamide and Methanol”, Journal of Solution Chemistry, 2021, 50, 257-276. DOI: 10.1007/s10953-021-01058-7

Abdullah Ozkanlar “Structural properties of hydrogen-bond network in liquid formamide-water mixtures”, Fluid Phase Equilibria, 2018, 456, 98-108. DOI: 10.1016/j.fluid.2017.10.012

Abdullah Ozkanlar, Tiecheng Zhou, and Aurora E. Clark “Towards a unified description of the hydrogen bond network of liquid water: a dynamics based approach”, J. Chem. Phys., 2014, 141, 214107. DOI: 10.1063/1.4902538

 Abdullah Ozkanlar and Aurora E. Clark “ChemNetworks: A Complex Network Analysis Tool For Chemical Systems”, J. Comput. Chem. 2014, 35, 495-505. DOI: 10.1002/jcc.23506

 Abdullah Ozkanlar and Aurora E. Clark “Sensitivity of the Properties of Ruthenium “Blue Dimer” to Method, Basis Set, and Continuum Model”, J. Chem. Phys. 2012, 136, 204104. DOI: 10.1063/1.4719937

Abdullah Ozkanlar, Jonathan L. Cape, James K. Hurst, and Aurora E. Clark “Covalent Hydration Reactions in Model Monomeric Ru 2,2’-Bipyridine Complexes: Thermodynamic Favorability as a Function of Metal Oxidation and Overall Spin States”, Inorg. Chem. 2011, 50, 8177-8187. DOI: 10.1021/ic200646h