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Sarika Lohkna
Computational Simulation
Maharashtra, India
0 Years
Joined Mar 2026
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About me
As a PhD in computational chemistry, I have a strong understanding of state-of-the-art quantum chemistry methods like periodic Density Functional Theory (DFT), DFT+U, Density functional Perturbation Theory (DFPT). I have expertise in computational tools such as Quantum ESPRESSO, and post-processing utilities for electronic structure and reaction pathway analysis. I have worked on multiple projects looking into the structure-property relationship of the materials.
Interests: Material modelling, catalysis (thermo-, photo-, and electrocatalysis), sustainable energy and greenhouse gas conversion, materials chemistry and surface science.
Skills
Density Functional TheoryFortranPython (Basic)Computational material ScienceQuantum ChemistryQuantum ESPRESSO
Certifications
Joint CSIR-UGC NET
My Services
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