405 citations · 470 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2017★ 405 cited
JDFTx: software for joint density-functional theory
Ravishankar Sundararaman, Kendra Letchworth-Weaver, Kathleen A. Schwarz +3
Density-functional theory (DFT) has revolutionized computational prediction of atomic-scale properties from first principles in physics, chemistry and materials science. Continuing…
cond-mat.mtrl-sci2015★ 65 cited
Stability and surface diffusion at lithium-electrolyte interphases with connections to dendrite suppression
Yalcin Ozhabes, Deniz Gunceler, T. A. Arias
This work presents an ab initio exploration of fundamental mechanisms with direct relevance to dendrite formation at lithium-electrolyte interfaces. Specifically, we explore surfac…