1. Computational Materials Science, Density Functional Theory

1. Materials Modelling from first-principles electronic structure calculations

2. Computational catalysis

3. Rational design of materials for sustainability

4. Defects in oxides

5. Strongly correlated oxides

6. Optical and magnetic properties of materials

7. Polymers

1. Resource person in the AICTE Training And Learning (ATAL) Academy, Govt. of India, funded Faculty Development Programme on "Cultivating Excellence in Implementation of Computation-al Science for Scientific and Technological Innovations", organised by NIT Rourkela, India, 14th - 18th June, 2021.

2. Best poster presentation Award in the International workshop and conference on Evolution of Electronic Structure Theory and Experimental Realization (EESTER), Jointly organized by SRMIST KTR (India), IIT Madras (India) and Uppsala University (Sweden), December, 2020.

3. IGCS-DAAD visiting postdoctoral fellowship by Indo-German Centre for sustainability (IGCS) Research for research visit to Department of Theoretical Chemistry, Technical University of Munich, Germany, in 2019.

4. Selected as a researcher for participation in the Research Opportunities Week (ROW), 2020, with full funding from the Technical University of Munich Talent Factory, Germany, in 2020.

5. Invited speaker in the Workshop on Molecular Modelling of Materials and Biological Macromolecules, held at NIT Rourkela, in September, 2020.

6. Full scholarship and grant to attend The College on Multiscale computational Modelling of Materials by The Abdus Salam International Centre for Theoretical Physics (ICTP), Trieste, Italy, in 2016.

7. Best speaker prize in the Research Scholar Day event Department of Metallurgical and Materials Engineering, Indian Institute of Technology Kharagpur, India, in 2016.

Research

1. Postdoctoral fellow, Materials Design Laboratory, Department of Metallurgical and Materials Engineering, IIT Madras, from September, 2017 to January, 2021.

2. IGCS-DAAD visiting postdoctoral fellow, Department of Theoretical Chemistry, Technical University of Munich, Germany, in 2019.

1. Life member of The Indian Science Congress Association

1. Conducted peer-reviewing task for Solid State Communications (Elsevier), Physical Review Materials (APS), Applied Surface Science (Elsevier) and Journal of Alloys and Compounds (Elsevier).

1. Debolina Misra and Satyesh K. Yadav, On the Origin of Precipitation of Transition Metals Implanted in MgO, European Physical Journal B 94, 76 (2021).

2. Debolina Misra and Satyesh K. Yadav, Nb Implanted BaO as a Support for Gold Single Atoms, arXiv preprint arXiv:2009.14256 (2020).

3. Debolina Misra and Satyesh K. Yadav, Prediction of Site Preference of Implanted Transition Metal Dopants in Rock-salt Oxides, Scientific Reports 9, 12593 (2019).

4. Debolina Misra and Tarun Kumar Kundu, A DFT+U study of the catalytic activity of LaNiO3, European Physical Journal B 90: 135 (2017).

5. Debolina Misra and Tarun Kumar Kundu, Strain-controlled transport mechanism in strongly correlated LaNiO3, Journal of Electronic Materials 46, No. 1, 150-157 (2017).

6. Debolina Misra and Tarun Kumar Kundu, Effect of strain on the optical properties of LaNiO3: A first- principle Study, Computational Materials Science 112, 113–119 (2016).

7. Debolina Misra and Tarun Kumar Kundu, Oxygen vacancy induced metal-insulator transition in LaNiO3, European Physical Journal B 89:4 (2016).

8. Debolina Misra and Tarun Kumar Kundu, Transport properties and metal-insulator transition in oxygen deficient LaNiO3: a density functional theory study, Materials Research Express 3, 095701 (2016).

9. Tarun Kumar Kundu and Debolina Misra, A first-principle study of the optical properties of pure and doped LaNiO3, Advanced Materials Letters 7(5), 344-348 (2016).

10. Debolina Misra, Tarun Kumar Kundu and Ankit, Effect of strain on the physical properties of LaNiO3, TMS: 145 Annual Meeting & Exhibition: Supplemental Proceedings, 247-252 (2016).