M. V. Jyothirmai

Accelerating the Discovery of g-C₃N₄-Supported Single Atom Catalysts for Hydrogen Evolution Reaction: A Combined DFT and Machine Learning Strategy

M. V. Jyothirmai, D. Roshini, B. Moses Abraham et al. · ACS Applied Energy Materials · 2023 · 59 citations

Machine Learning Strategy, Engineering, Machine Learning +20

Screening of suitable cationic dopants for solar absorber material CZTS/Se: A first principles study

M. V. Jyothirmai, Himanshu Saini, Noejung Park et al. · Scientific Reports · 2019 · 48 citations · Full text

Machine-Learning-Driven High-Throughput Screening of Transition-Metal Atom Intercalated g-C₃N₄/MX₂ (M = Mo, W; X = S, Se, Te) Heterostructures for the Hydrogen Evolution Reaction

M. V. Jyothirmai, Roshini Dantuluri, Priyanka Sinha et al. · ACS Applied Materials & Interfaces · 2024 · 44 citations

Catalysis in the digital age: Unlocking the power of data with machine learning

B. Moses Abraham, M. V. Jyothirmai, Priyanka Sinha et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2024 · 44 citations · Full text

Artificial Intelligence, Engineering, Machine Learning +26

Mechanistic insights for electrochemical reduction of CO₂ into hydrocarbon fuels over O-terminated MXenes

Vanshree Parey, B. Moses Abraham, M. V. Jyothirmai et al. · Catalysis Science & Technology · 2022 · 37 citations

Engineering, Group Iv, Chemistry +16