8 citations · 9 across the 7 of their papers we have counts for
3 papers · 1 filter
Efficient Band Structure Unfolding with Atom-centered Orbitals: General Theory and Application
Jingkai Quan, Nikita Rybin, Matthias Scheffler +1
Band structure unfolding is a key technique for analyzing and simplifying the electronic band structure of large, internally distorted supercells that break the primitive cell's tr…
Ultrafast dynamics of local charge order in a THz-induced metastable quantum state
Luis E. Parra López, Jingkai Quan, Alkisti Vaitsi +5
Controlling quantum materials with ultrafast light pulses enables access to transient and metastable states that are inaccessible under equilibrium conditions. Yet their local dyna…
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…