74 citations · 83 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2023★ 9 cited
Solving the electronic structure problem for over 100,000 atoms in real-space
Mehmet Dogan, Kai-Hsin Liou, James R. Chelikowsky
Using a real-space high order finite-difference approach, we investigate the electronic structure of large spherical silicon nanoclusters. Within Kohn-Sham density functional theor…
cond-mat.mtrl-sci2022★ 74 cited
Roadmap on Electronic Structure Codes in the Exascale Era
Vikram Gavini, Stefano Baroni, Volker Blum +38
Electronic structure calculations have been instrumental in providing many important insights into a range of physical and chemical properties of various molecular and solid-state…