Molecular modeling of membranes using classical molecular dynamics (MD) simulations and density
functional theory (DFT) calculations.
Sensing of biomolecules (DNA/RNA, Proteins), small molecules with different 2D nanomaterials and metal surfaces.
Elucidation of catalytic mechanisms of copolymerization.
Modeling of Li, K, Na, Mg, and Ca battery materials.
Modeling of CO2 storage materials
Selected Publications
Gas separation and water desalination performance of defect-free interfacially polymerized para-linked polyamide th... Z. Ali, Y. Wang, W. Ogieglo, F. Pacheco, H. Vovusha, Y. Han, I. Pinnau Journal of Membrane Science, Volume 618, 118572, (2020)
Finely Tuned Submicroporous Thin‐Film Molecular Sieve Membranes for Highly Efficient Fluid Separations Z. Ali, B. S. Ghanem, Y. Wang, F. Pacheco, W. Ogieglo, H. Vovusha, G. Genduso, U. Schwinge... Adv. Mater., 2001132, (2020)
Mechanism of wettability alteration of the calcite {101 [combining macron] 4} surface Huifang Li, Hakkim Vovusha, Sitansh Sharma, Nirpendra Singh, Udo Schwingenschlögl Physical Chemistry Chemical Physic, (2020)
Sensitivity enhancement of stanene towards toxic SO2 and H2S Hakkim Vovusha, Tanveer Hussain, Muhammad Sajjad, Hoonkyung Lee, Amir Karton, Rajeev Ahuja... Applied Surface Science, (2019)
Density Functional Theory Analysis of Gas Adsorption on Monolayer and Few Layer Transition Metal Dichalcogenides: I... Vasudeo Babar, Hakkim Vovusha (equal contribution), Udo Schwingenschlögl ACS Applied Nano Materials, (2019)
Education
Ph.D., Chemistry, University of Madras, Chennai, Tamilnadu, India, 2013
M.Sc., Chemistry, Madurai Kamaraj University, Madurai, Tamilnadu, India, 2007
B.Sc., Chemistry, The American College, Madurai, Tamilnadu, India, 2005
Professional Profile
2015-present: Postdoctoral fellow, KAUST, Thuwal, Saudi Arabia
2014-2015: Researcher, Uppsala University, Uppsala, Sweden
2012-2014: Postdoctoral fellow, Uppsala University, Uppsala, Sweden
2010-2012: Senior Research Fellow, CSIR-CLRI, Chennai, Tamilnadu, India
2007-2010: Junior Research Fellow, CSIR-CLRI, Chennai, Tamilnadu, India
Awards
Senior Research Fellow, Council of Scientific and Industrial Research, New Delhi, India, 2010
Graduate Aptitude Test in Engineering, 2007
Prof. C. Srinivasan endowment gold medal for topper in M.Sc, physical chemistry, 2007
Maveeran Sundaralingam endowment scholarship for having secured the highest marks in M.Sc.
