97 citations · 208 across the 25 of their papers we have counts for
5 papers · 1 filter
Hybrid CPU-GPU generation of the Hamiltonian and Overlap matrices in FLAPW methods
Diego Fabregat-Traver, Davor Davidović, Markus Höhnerbach +1
In this paper we focus on the integration of high-performance numerical libraries in ab initio codes and the portability of performance and scalability. The target of our work is F…
Parallel adaptive integration in high-performance functional Renormalization Group computations
Julian Lichtenstein, Jan Winkelmann, David Sánchez de la Peña +2
The conceptual framework provided by the functional Renormalization Group (fRG) has become a formidable tool to study correlated electron systems on lattices which, in turn, provid…
High-performance functional renormalization group calculations for interacting fermions
J. Lichtenstein, D. Sánchez de la Peña, D. Rohe +3
We derive a novel computational scheme for functional Renormalization Group (fRG) calculations for interacting fermions on 2D lattices. The scheme is based on the exchange parametr…
Methodology for determining the electronic thermal conductivity of metals via direct non-equilibrium ab initio molecular dynamics
Sheng-Ying Yue, Xiaoliang Zhang, Stephen Stackhouse +3
Many physical properties of metals can be understood in terms of the free electron model, as proven by the Wiedemann-Franz law. According to this model, electronic thermal conducti…
High-performance generation of the Hamiltonian and Overlap matrices in FLAPW methods
Edoardo Di Napoli, Elmar Peise, Markus Hrywniak +1
One of the greatest efforts of computational scientists is to translate the mathematical model describing a class of physical phenomena into large and complex codes. Many of these…