3 papers
cs.MS2019
The deal.II finite element library: design, features, and insights
Daniel Arndt, Wolfgang Bangerth, Denis Davydov +7
deal.II is a state-of-the-art finite element library focused on generality, dimension-independent programming, parallelism, and extensibility. Herein, we outline its primary design…
cs.MS2019
Algorithms and data structures for matrix-free finite element operators with MPI-parallel sparse multi-vectors
Denis Davydov, Martin Kronbichler
Traditional solution approaches for problems in quantum mechanics scale as , where is the number of electrons. Various methods have been proposed to address th…
physics.comp-ph2019
DFT-FE -- A massively parallel adaptive finite-element code for large-scale density functional theory calculations
Phani Motamarri, Sambit Das, Shiva Rudraraju +3
We present an accurate, efficient and massively parallel finite-element code, DFT-FE, for large-scale ab-initio calculations (reaching electrons) using Kohn-Sham den…