544 citations · 1.7k across the 20 of their papers we have counts for
3 papers · 1 filter
Lifetime effects and satellites in the photoelectron spectrum of tungsten metal
Curran Kalha, Laura E. Ratcliff, Julio J. Gutiérrez Moreno +10
Tungsten is an important and versatile transition metal and has a firm place at the heart of many technologies. A popular experimental technique for the characterisation of tungste…
Full operator preconditioning and the accuracy of solving linear systems
Stephan Mohr, Yuji Nakatsukasa, Carolina Urzúa-Torres
Unless special conditions apply, the attempt to solve ill-conditioned systems of linear equations with standard numerical methods leads to uncontrollably high numerical error. Ofte…
Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms
Robert Schade, Tobias Kenter, Hossam Elgabarty +8
We push the boundaries of electronic structure-based \textit{ab-initio} molecular dynamics (AIMD) beyond 100 million atoms. This scale is otherwise barely reachable with classical…