Electronic Structure

Roadmap on Machine learning in electronic structure

Heather J. Kulik, Thomas Hammerschmidt, Jonathan Schmidt et al. · 2022 · 184 citations · Full text

Natural Sciences, Materials Science, Physics +15

The physical significance of imaginary phonon modes in crystals

Ioanna Pallikara, Prakriti Kayastha, Jonathan M. Skelton et al. · 2022 · 161 citations · Full text

Natural Sciences, Materials Science, Physics +16

Bethe–Salpeter equation for absorption and scattering spectroscopy: implementation in the exciting code

Christian Vorwerk, Benjamin Aurich, Caterina Cocchi et al. · 2019 · 100 citations

Natural Sciences, Materials Science, Physics +17

Twistronics: a turning point in 2D quantum materials

Zachariah Hennighausen, Swastik Kar · 2021 · 85 citations · Full text

Natural Sciences, Materials Science, Physics +16

Electronic structure of cesium-based photocathode materials from density functional theory: performance of PBE, SCAN, and HSE06 functionals

Holger‐Dietrich Saßnick, Caterina Cocchi · 2021 · 72 citations · Full text

Natural Sciences, Materials Science, Physics +17