150 citations · 1.2k across the 28 of their papers we have counts for
Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
cond-mat.mtrl-sci2026
A Single Twist-Angle Selection Method for the Electronic Structure of Bilayer Materials
Ryan A. Baker, William Z. Van Benschoten, James J. Shepherd
Structure factor twist averaging (sfTA) is a newer method that has been shown to reproduce twist-averaged (TA) CCSD energies for bulk systems at a low computational cost. In this w…
cond-mat.mtrl-sci2021★ 37 cited
Effective Hamiltonians for the study of real metals using quantum chemical theories
Tina N. Mihm, Tobias Schäfer, Sai Kumar Ramadugu +2
Computationally efficient and accurate quantum mechanical approximations to solve the many-electron Schrödinger equation are at the heart of computational materials science. In tha…