4 citations · 4 across the 3 of their papers we have counts for
3 papers
Low-rank compression of two-electron reduced density matrices
Kemal Atalar, Hugh G. A. Burton, Andreas Grüneis +1
Two-body reduced density matrices (2RDMs) encode the essential two-electron physics of electronic states, but their quartic storage cost poses a major limitation in practical workf…
Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions
Kemal Atalar, Yannic Rath, Rachel Crespo-Otero +1
We build on the concept of eigenvector continuation to develop an efficient multi-state method for the rigorous and smooth interpolation of a small training set of many-body wavefu…
Flat band properties of twisted transition metal dichalcogenide homo- and heterobilayers of MoS, MoSe, WS and WSe
Valerio Vitale, Kemal Atalar, Arash A. Mostofi +1
Twisted bilayers of two-dimensional materials, such as twisted bilayer graphene, often feature flat electronic bands that enable the observation of electron correlation effects. In…