10 papers
An Integral-Based Framework for Preconditioning
Gustavo Ramirez-Hidalgo
The computation of the action of a matrix function on a vector, , is a major computational bottleneck for large, sparse matrices, particularly when unfavorable spectral dist…
Variance reduction with probing and Multilevel Monte Carlo in Lattice QCD
Andreas Frommer, Jose Jimenez-Merchan, Bruno Lang +2
Trace estimation is central in many lattice QCD computations, but the accuracy of the standard, stochastic Hutchinson method improves only with the square root of the sample size,…
Exploiting Task-Based Parallelism for the Red-Black Gauss-Seidel Method on 2D Grids
Shiting Long, Gustavo Ramirez-Hidalgo, Andreas Frommer +1
Gauss-Seidel is a well-established iterative method for the solution of linear systems, and multicoloring has been widely used to increase parallelism in iterative solution techniq…
Data-Driven Spectral Prediction for Accelerating Large-Scale Electronic Structure Calculations
Abhiram Badrinarayanan, Davor Davidovic, Edoardo Di Napoli +4
Simulating large molecular systems comprising thousands of atoms requires highly scalable methodologies. While modern Density Functional Theory (DFT) codes exhibit linear scaling,…
Probing and graph coloring techniques for trace estimation in Lattice QCD
Mario Papace, Andreas Frommer, Jose Jimenez-Merchan +3
The computation of , where is the Wilson-Dirac matrix of Lattice QCD, is a fundamental and computationally demanding task with applications to disconnected…
Revisiting recursive methods for Dyson and Keldysh in NEGF: Part I
Edoardo Di Napoli, Alessandro Pecchia, Gustavo Ramirez-Hidalgo
The simulation of quantum transport in nanodevices requires the solution of the Dyson and Keldysh equations, a task dominated by the inversion of massive, block-tridiagonal matrice…