Applied Surface Science 556, 149709 (2021)
Empowering hydrogen storage properties of haeckelite monolayers via metal atom functionalization
Pushing the limits of solubility prediction via quality-oriented data selection
Scientific Reports 11, 4089 (2021)
A quantitative evaluation of computational methods to accelerate the study of alloxazine-derived electroactive compounds for energy storage
A computational approach for high-throughput virtual screening of organic electroactive compounds for aqueous redox flow batteries
Scientific Reports 10, 22149 (2020)
Comparison of computational chemistry methods for the discovery of quinone-based electroactive compounds for energy storage
MSc Thesis, Narasimhan Viswananthan (2020)
High Throughput DFT Calculations on Single Atom Catalysts for Solar Fuel Generation