Niraj K. Nepal

Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories

John P. Perdew, Adrienn Ruzsinszky, Jianwei Sun et al. · Proceedings of the National Academy of Sciences · 2021 · 103 citations · Full text

Natural Sciences, Physics, Condensed Matter Physics +16

Stretched or noded orbital densities and self-interaction correction in density functional theory

Chandra Shahi, Puskar Bhattarai, Kamal Wagle et al. · The Journal of Chemical Physics · 2019 · 66 citations · Full text

Natural Sciences, Chemistry, Physics +17

First-principles study of mechanical and electronic properties of bent monolayer transition metal dichalcogenides

Niraj K. Nepal, Liping Yu, Qimin Yan et al. · Physical Review Materials · 2019 · 52 citations · Full text

Natural Sciences, Materials Science, Physics +16

Tunable band gaps and optical absorption properties of bent MoS2 nanoribbons

Hong Tang, Bimal Neupane, Santosh Neupane et al. · Scientific Reports · 2022 · 43 citations · Full text

Natural Sciences, Materials Science, Physics +17

Opening band gaps of low-dimensional materials at the meta-GGA level of density functional approximations

Bimal Neupane, Hong Tang, Niraj K. Nepal et al. · Physical Review Materials · 2021 · 40 citations · Full text

Natural Sciences, Materials Science, Physics +16