2 papers
cond-mat.mtrl-sci2026
Large-scale pseudopotential density functional theory calculations using orthogonalized enriched finite element basis
Avirup Sircar, Bikash Kanungo, Sambit Das +1
We present an efficient and scalable computational framework for pseudopotential Kohn-Sham density functional theory (KS-DFT) calculations using an enriched finite element (EFE) ba…
cond-mat.stat-mech2019
A simple generalization of Prandtl-Tomlinson model to study nanoscale rolling friction
Avirup Sircar, Puneet Kumar Patra
Prandtl-Tomlinson (PT) model has been very successful in explaining nanoscale friction in a variety of situations. However, the simplistic PT model, on account of having a point ma…