Development status of ABINIT-MP in 2025

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Authors

Yuji Mochizuki · Rikkyo University

Tatsuya Nakano · Research Organization for Information Science and Technology

Kota Sakakura

Hideo Doi · Rikkyo University

Koji Okuwaki · Rikkyo University

Kaori Fukuzawa · Osaka University of Pharmaceutical Sciences

Toshihiro Kato

Akira Naruse

Abstract

The next version of ABINIT-MP, Open Version 2 Revision 12, is scheduled for release in spring 2026. We are also planning Revision 16, which will incorporate GPU acceleration for MP2 energy calculations. In parallel, we are preparing the Version 3 series to support open-shell and multireference systems. Furthermore, development has begun on FMO-X, a new implementation designed for GPU environments from the outset. This paper presents an overview of these developments.

Topics & Keywords

Probabilistic and Robust Engineering Design Structural Health Monitoring Techniques Masonry and Concrete Structural Analysis

Publication Details

Published in: Journal of Computer Chemistry Japan

Volume 25, Issue 1, pp. 7-14

DOI: 10.2477/jccj.2026-0001

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Development status of ABINIT-MP in 2025

Authors

Abstract

Topics & Keywords

Publication Details