activity
20132026
most citedAn efficient basis set representation for calculating electrons in molecules

20 citations · 39 across the 8 of their papers we have counts for

collaborators

8 papers

quant-ph2026

End-to-end performance of quantum-accelerated large-scale linear algebra workflows

Daiwei Zhu, Miguel Angel Lopez-Ruiz, François-Henry Rouet +5

Solving large-scale sparse linear systems is a challenging computational task due to the introduction of non-zero elements, or "fill-in". The Graph Partitioning Problem (GPP) arise…

quant-ph2025

Accelerating large-scale linear algebra using variational quantum imaginary time evolution

Willie Aboumrad, Daiwei Zhu, Claudio Girotto +6

The solution of large sparse linear systems via factorization methods such as LU or Cholesky decomposition, can be computationally expensive due to the introduction of non-zero ele…

math.NA2018★ 1 cited

Matrix-free construction of HSS representation using adaptive randomized sampling

Christopher Gorman, Gustavo Chávez, Pieter Ghysels +3

We present new algorithms for the randomized construction of hierarchically semi-separable matrices, addressing several practical issues. The HSS construction algorithms use a part…

cs.MS2016

An efficient hybrid tridiagonal divide-and-conquer algorithm on distributed memory architectures

Shengguo Li, Francois-Henry Rouet, Jie Liu +3

In this paper, an efficient divide-and-conquer (DC) algorithm is proposed for the symmetric tridiagonal matrices based on ScaLAPACK and the hierarchically semiseparable (HSS) matri…

physics.chem-ph2015★ 20 cited

An efficient basis set representation for calculating electrons in molecules

Jeremiah R. Jones, Francois-Henry Rouet, Keith V. Lawler +9

The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation…

cs.MS2015★ 5 cited

A distributed-memory package for dense Hierarchically Semi-Separable matrix computations using randomization

François-Henry Rouet, Xiaoye S. Li, Pieter Ghysels +1

We present a distributed-memory library for computations with dense structured matrices. A matrix is considered structured if its off-diagonal blocks can be approximated by a rank-…

cs.MS2015★ 7 cited

An efficient multi-core implementation of a novel HSS-structured multifrontal solver using randomized sampling

Pieter Ghysels, Xiaoye S. Li, Francois-Henry Rouet +2

We present a sparse linear system solver that is based on a multifrontal variant of Gaussian elimination, and exploits low-rank approximation of the resulting dense frontal matrice…

astro-ph.IM2013★ 6 cited

Simultaneous analysis of large INTEGRAL/SPI datasets: optimizing the computation of the solution and its variance using sparse matrix algorithms

L. Bouchet, P. Amestoy, A. Buttari +2

Nowadays, analyzing and reducing the ever larger astronomical datasets is becoming a crucial challenge, especially for long cumulated observation times. The INTEGRAL/SPI X-gamma-ra…