Dr. Naiwrit Karmodak | Department of Chemistry


Dr. Naiwrit
Assistant Professor
Department of Chemistry
School of Natural Sciences (SNS)
Shiv Nadar University
Profile Summary 

My motivation is to share my ideas and research passion for the advancement of scientific knowledge and the development of a sustainable society. The excessive utilization of fossil fuels has enhanced the percentage of CO2 emission and endangered the entire ecosystem by bringing in consequences like global warming. Having acquired a strong experience in electronic structure theory and computational simulation techniques for studying the interfacial properties of wet-electrified surfaces, I desire to implement my knowledge to study the electrocatalytic properties of materials for sustainable energy generation and storage from renewable resources and broaden the prospects of surface catalysis to a multidisciplinary aspect, bridging their specific applications between nanocatalysis and nanoisozymes. I am also greatly interested in collaborating with chemical industries and experimental research groups, where my knowledge and experiences in electrocatalysis could be used to enhance the performance of fuel cells, formulating efficient methods for the conversion of CO2 into useful organic products, devising electrochemical sensors and designing anti-corrosive materials.

Educational Qualifications 
Indian Institute of Science, Bangalore
Work Experience 
Marie Sklodowska- Curie Eurotech,
Department of Physics, Denmark Technical University, Denmark, and School of Engineering, EPFL, Switzerland.
I currently work here
Postdoctoral Associate,
Department of Physics, Denmark Technical University,
Postdoctoral Associate,
Department of Physics, University of North Texas (UNT).,
Research Associate,
Inorganic and Physical Chemistry (IPC) Dept., IISc Bangalore,
Bangalore, India
Teaching & Research Interests: 

Computational Electrochemistry, Electronic Structure Theory, Materials Science.

  • Marie Skłodowska-Curie Eurotech Postdoctoral Fellowship, 2021.
  • J. C. Ghosh Medal for Best Thesis 2018-2019, Physical Chemistry, Indian Institute of Science (IISc) Bangalore.
  • Vasudevmurty-Soundarajan Prize, Ph.D. Coursework, IISc, 2014.
  • SURGE Fellowship 2012, IIT, Kanpur
  • Sachitanada Memorial Prize, Highest marks in Physical Chemistry, B. Sc, 2011.

Scholarly Activity

Journal Publications (accepted or published)

  • Karmodak, N.; Vijay, S.; Kastlunger G.; Chan, K.; Computational screening of single and diatom catalysts for CO 2 reduction, ACS Catal. 2022, 12, 4818–4824
  • Karmodak, N.; Bursi, L; Andreussi O.; Computational Screening of Two-Dimensional Transition Metal Dichalcogenides for Oxygen Evolution and Reduction, J. Phys. Chem. Lett., 2022, 13, 58- 65.
  • Karmodak, N.; Andreussi O.; Catalytic Activity and Stability of Two-Dimensional Materials for the Hydrogen Evolution Reaction, ACS Energy Lett, 2020, 5, 885-891.
  • Karmodak, N.; Andreussi O.; Activation of MoS 2 edges for Oxygen Evolution Reaction (OER) by surface oxidation, J. Phys. Chem. C, 2021, 125, 10397-10405.
  • Karmodak, N.; Jemmis, E. D.; The Role of Holes in Borophenes: An Ab Initio Study of Their Structure and Stability with and without Metal Templates, Angew. Chem. Int. Ed. 2017, 56, 10093-10097.
  • Karmodak N.; Jemmis E. D.; Fragment approach to the electronic structure of  Tau-Boron allotope, Phys. Rev. B., 2017, 95, 16, 165128.

For full list of publications: https://scholar.google.com/citations?user=HryPao4AAAAJ