Boqin Zhang

dblp:343/6529 · DBLP profile ↗
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1ranked-venue papers
0as first author
1since 2021 · last 2024
0000-0003-1544-5048ORCID · reported

Domains — the database's venue-derived domains; a paper can count in several

Systems, architecture and hardware · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Computer architecture, parallel and distributed computing, and storage systems
1 paper
High-performance computing · 87% Parallel and multicore computing · 13%
Theoretical computer science
1 paper
Algorithms and data structures · 50% Mathematical optimization · 50%

Topics — the 5 heaviest of 5, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
High-performance computing › scientific computing systems
electronic structure calculation
0.812024
Many-Body Electronic Correlation Energy using Krylov Subspace Linear Solvers · SC 2024
High-performance computing
scientific computing systems
0.812024
Many-Body Electronic Correlation Energy using Krylov Subspace Linear Solvers · SC 2024
Mathematical optimization › iterative methods
krylov subspace methods
0.812024
Many-Body Electronic Correlation Energy using Krylov Subspace Linear Solvers · SC 2024
Algorithms and data structures
numerical linear algebra
0.812024
Many-Body Electronic Correlation Energy using Krylov Subspace Linear Solvers · SC 2024
Parallel and multicore computing › parallel computing
parallel scientific computing
0.212024
Many-Body Electronic Correlation Energy using Krylov Subspace Linear Solvers · SC 2024

Methods — techniques the papers use, named apart from their topics

random-phase approximation · 1.5density functional theory · 1.5block krylov subspace solver · 1.5
YearPublicationVenuePosition
2024 Many-Body Electronic Correlation Energy using Krylov Subspace Linear Solvers
abstract
This paper presents the formulation and implementation of a high performance algorithm to compute the many-body electronic correlation energy via the random-phase approximation within density functional theory. Our approach circumvents computational inefficiencies inherent in direct approaches which exhibit quartic scaling with respect to system size. Our formulation requires solving block linear systems whose coefficient matrices are complex symmetric; these systems are of widely-varying numerical difficulty. We develop a shortterm recurrence block Krylov subspace solver for these systems and leverage a dynamic block size selection to mitigate load imbalances. This selection balances the increased cost per linear solver iteration with a reduction in the number of iterations for slowly-converging systems. Numerical experiments show that our implementation exhibits good parallel scalability, achieves faster solution times than direct approaches on even the smallest chemical system tested, and scales to larger systems and processor counts due to its cubic scaling and greater computational locality.
Shikhar Shah, Boqin Zhang, Hua Huang 0011, John E. Pask, Phanish Suryanarayana, Edmond Chow
SC2