arXiv (All)
open access
A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K
Electronic structure calculations based on density-functional theory (DFT) represent a significant part of today's HPC workloads and pose high demands on high-performance computing resources. To perform these quantum-mechanical DFT calculations on complex large-scale systems, so-called linear scalin
Conceptio Open Archive
Analyze & explore related research in Conceptio
Connect this record directly into your research workflow or AI agent. Explore citations across open repositories, query full text, and export structured proof bundles.
This document is indexed with metadata only: full text is not available in the archive for this record. Open the official source ↗
Related documents
- Molecular Dynamics with Nuclear Effects on Quantum Computers#1156821
- Atomic Charge Calculator III: a modern platform for calculating partial atomic charges.#362340
- Roadmap on Electronic Structure Codes in the Exascale Era#1128480
- T-matrix scattering formalism for electron-beam spectroscopy#1141242
- Measurement of CP observables in B± → DK*± decays using two- and four-body D final states#1106748
Record · ID 1128466
Retrieved via Conceptio: every document is proof-bundled with source, license, and retrieval metadata.
Retrieved via Conceptio: every document is proof-bundled with source, license, and retrieval metadata.
Bring this data into your agent: Connect via MCP or API · 20 free credits to start · no card required
Read the Docs → · View CLI source on GitHub · Conceptio Open Knowledge Archive
Read the Docs → · View CLI source on GitHub · Conceptio Open Knowledge Archive