Vei WANG - 2025-12-04

Dear colleagues and VASPKIT users,

We are pleased to announce that the official and comprehensive VASPKIT user guide, “Empowering Materials Science with VASPKIT: A Toolkit for Enhanced Simulation and Analysis,” has been published in Nature Protocols. This marks a significant milestone for the VASPKIT project and underscores its growing impact within the international materials science community.

From its initial development to now exceeding 6000 citations, VASPKIT has benefited greatly from the support of users worldwide. The Nature Protocols article provides an authoritative and standardized reference that introduces the VASPKIT framework and presents detailed protocols for VASP pre-processing, high-throughput workflow management, and advanced electronic-structure and optical-property analysis.

To support ongoing development and ensure proper academic attribution, we kindly request users to cite both of the following publications when using VASPKIT:

[1] W.T. Geng, Y.-C. Liu, N. Xu, G. Tang, Y. Kawazoe, V. Wang.
Empowering Materials Science with VASPKIT: A Toolkit for Enhanced Simulation and Analysis,
Nature Protocols 20, 3143 (2025).
DOI: https://www.nature.com/articles/s41596-025-01160-w

[2] V. Wang, N. Xu, J.-C. Liu, G. Tang, W.T. Geng.
VASPKIT: A User-Friendly Interface Facilitating High-Throughput Computing and Analysis Using VASP Code,
Computer Physics Communications 267, 108033 (2021).
DOI: https://doi.org/10.1016/j.cpc.2021.108033

We sincerely thank the community for its long-standing support. We remain committed to advancing VASPKIT in the spirit of open science and to providing robust and reliable tools for the materials research community.

Sincerely yours,
The VASPKIT Team

 
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