Vijay Singh

Putting DFT to the Test: A First-Principles Study of Electronic, Magnetic, and Optical Properties of Co₃O₄

Vijay Singh, Monica Kosa, Koushik Majhi et al. · Journal of Chemical Theory and Computation · 2014 · 125 citations

Engineering, Direct Band Gap, Magnetic Resonance +20

Overcoming the conversion reaction limitation at three-phase interfaces using mixed conductors towards energy-dense solid-state Li–S batteries

Daiwei Wang, Bharat Gwalani, Dominik Wierzbicki et al. · Nature Materials · 2025 · 64 citations · Full text

Materials Science, Engineering, Battery Electrode Materials +12

Electronic Structure and Bonding in Co-Based Single and Mixed Valence Oxides: A Quantum Chemical Perspective

Vijay Singh, Dan Thomas Major · Inorganic Chemistry · 2016 · 55 citations

Magnetic properties of Heusler alloys: Theory and experiment

S. Chatterjee, Vijay Singh, A. K. Deb et al. · Journal of Magnetism and Magnetic Materials · 2009 · 40 citations

Magnetism, Ferromagnetism, Magnetic Properties +8

DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various density functional theory packages

Vijay Singh, Uthpala Herath, Benny Wah et al. · Computer Physics Communications · 2020 · 37 citations · Full text

Engineering, Generalized Function, Physics +6