699 citations · 925 across the 12 of their papers we have counts for
12 papers
Massively Distributed Finite-Volume Flux Computation
Ryuichi Sai, Mathias Jacquelin, François P. Hamon +2
Designing large-scale geological carbon capture and storage projects and ensuring safe long-term CO2 containment - as a climate change mitigation strategy - requires fast and accur…
Wafer-Scale Fast Fourier Transforms
Marcelo Orenes-Vera, Ilya Sharapov, Robert Schreiber +3
We have implemented fast Fourier transforms for one, two, and three-dimensional arrays on the Cerebras CS-2, a system whose memory and processing elements reside on a single silico…
Massively scalable stencil algorithm
Mathias Jacquelin, Mauricio Araya-Polo, Jie Meng
Stencil computations lie at the heart of many scientific and industrial applications. Unfortunately, stencil algorithms perform poorly on machines with cache based memory hierarchy…
NWChem: Past, Present, and Future
E. Aprà, E. J. Bylaska, W. A. de Jong +111
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…
ELSI -- An Open Infrastructure for Electronic Structure Solvers
Victor Wen-zhe Yu, Carmen Campos, William Dawson +16
Routine applications of electronic structure theory to molecules and periodic systems need to compute the electron density from given Hamiltonian and, in case of non-orthogonal bas…
A 3D Parallel Algorithm for QR Decomposition
Grey Ballard, James Demmel, Laura Grigori +2
Interprocessor communication often dominates the runtime of large matrix computations. We present a parallel algorithm for computing QR decompositions whose bandwidth cost (communi…
ELSI: A Unified Software Interface for Kohn-Sham Electronic Structure Solvers
Victor Wen-zhe Yu, Fabiano Corsetti, Alberto García +12
Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This…
The Reverse Cuthill-McKee Algorithm in Distributed-Memory
Ariful Azad, Mathias Jacquelin, Aydin Buluc +1
Ordering vertices of a graph is key to minimize fill-in and data structure size in sparse direct solvers, maximize locality in iterative solvers, and improve performance in graph a…
An Asynchronous Task-based Fan-Both Sparse Cholesky Solver
Mathias Jacquelin, Yili Zheng, Esmond Ng +1
Systems of linear equations arise at the heart of many scientific and engineering applications. Many of these linear systems are sparse; i.e., most of the elements in the coefficie…
A Left-Looking Selected Inversion Algorithm and Task Parallelism on Shared Memory Systems
Mathias Jacquelin, Lin Lin, Weile Jia +2
Given a sparse matrix , the selected inversion algorithm is an efficient method for computing certain selected elements of . These selected elements correspond to all or…
Enhancing the scalability and load balancing of the parallel selected inversion algorithm via tree-based asynchronous communication
Mathias Jacquelin, Lin Lin, Nathan Wichmann +1
We develop a method for improving the parallel scalability of the recently developed parallel selected inversion algorithm [Jacquelin, Lin and Yang 2014], named PSelInv, on massive…
Multilevel communication optimal LU and QR factorizations for hierarchical platforms
Laura Grigori, Mathias Jacquelin, Amal Khabou
This study focuses on the performance of two classical dense linear algebra algorithms, the LU and the QR factorizations, on multilevel hierarchical platforms. We first introduce a…