About

Nanoworks is an open-source materials simulation framework developed by Prof. Dr. Sefer Bora Lisesivdin and Prof. Dr. Beyza Sarikavak-Lisesivdin to provide an accessible, flexible, and modern workflow for atomistic modeling and density functional theory (DFT) calculations. It originates from the gpaw-tools project, which was initially designed to simplify the use of ASE and GPAW for students and researchers through command-based workflows and graphical interfaces.

Over time, Nanoworks has evolved into a broader platform integrating multiple atomistic simulation libraries, including ASE, GPAW, ASAP3, Phonopy, Elastic, and OpenKIM. The project is currently being restructured to incorporate state-of-the-art machine learning interatomic potentials, such as MACE, CHGNet, and SevenNet, enabling efficient and scalable simulations across diverse materials systems.

Nanoworks aims to bridge ease of use with advanced computational capabilities, supporting education, research, and method development in computational materials science. The project continues to be actively developed, and community contributions and feedback are welcomed through its GitHub repository.