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Journal Article

GPR_calculator: An on-the-fly surrogate model to accelerate massive nudged elastic band calculations

Isaac Onyango; Byungkyun Kang; Qiang Zhu
Computer Physics Communications · Vol. 316 · pp. 109781 · 2025

Abstract

Abstract is unavailable.

Bibliographic Information

JournalComputer Physics Communications
PublisherNorth-Holland
Publication Date2025-11-01
Publication Year2025
Volume316
Pages109781
Document TypeJournal Article
eISSN0010-4655
DOI10.1016/j.cpc.2025.109781
SubjectEarth and Planetary Sciences

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NARA Access Coverage1969-07-01~Current
Journal Homepagehttps://www.sciencedirect.com/science/journal/00104655
Publisher PageOpen Publisher Page
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