434 citations · 1k across the 18 of their papers we have counts for
24 papers
A method of calculating bandstructure in real-space with application to all-electron and full potential
Dongming Li, James Kestyn, Eric Polizzi
We introduce a practical and efficient approach for calculating the all-electron full potential bandstructure in real space, employing a finite element basis. As an alternative to…
Automatic Differentiation for Inverse Problems with Applications in Quantum Transport
Ivan Williams, Eric Polizzi
A neural solver and differentiable simulation of the quantum transmitting boundary model is presented for the inverse quantum transport problem. The neural solver is used to engine…
An Iterative Method for Contour-Based Nonlinear Eigensolvers
Julien Brenneck, Eric Polizzi
Contour integration techniques have become a popular choice for solving the linear and non-linear eigenvalue problems. They principally include the Sakurai-Sugiura methods, the Bey…
From Fundamental First-Principle Calculations to NanoEngineering Applications: Review of the NESSIE project
James Kestyn, Eric Polizzi
This paper outlines how modern first-principle calculations can adequately address the needs for ever higher levels of numerical accuracy and high-performance in large-scale electr…
FEAST Eigenvalue Solver v4.0 User Guide
Eric Polizzi
The FEAST library package represents an unified framework for solving various family of eigenvalue problems and achieving accuracy, robustness, high-performance and scalability on…
A Feature Complete SPIKE Banded Algorithm and Solver
Braegan S. Spring, Eric Polizzi, Ahmed H. Sameh
New features and enhancements for the SPIKE banded solver are presented. Among all the SPIKE algorithm versions, we focus our attention on the recursive SPIKE technique which provi…