Abhijith Gopakumar

Multi-objective Optimization for Materials Discovery via Adaptive Design

Abhijith Gopakumar, Prasanna V. Balachandran, Dezhen Xue et al. · Scientific Reports · 2018 · 167 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

OPTIMADE, an API for exchanging materials data

Casper Welzel Andersen, Rickard Armiento, Evgeny Blokhin et al. · Repository KITopen (Karlsruhe Institute of Technology) · 2021 · 91 citations · Full text

Computing, Materials Engineering, Materials Science +17

Reflections on one million compounds in the open quantum materials database (OQMD)

Jiahong Shen, Sean D. Griesemer, Abhijith Gopakumar et al. · Journal of Physics Materials · 2022 · 48 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

High-throughput hybrid-functional DFT calculations of bandgaps and formation energies and multifidelity learning with uncertainty quantification

Mohan Liu, Abhijith Gopakumar, Vinay I. Hegde et al. · Physical Review Materials · 2024 · 44 citations

Natural Sciences, Materials Engineering, Materials Science +17

Oxygen Vacancy Formation Energy in Metal Oxides: High-Throughput Computational Studies and Machine-Learning Predictions

Bianca Baldassarri, Jiangang He, Abhijith Gopakumar et al. · Chemistry of Materials · 2023 · 42 citations

Natural Sciences, Materials Science, Physics +17