Siam Quantum 2.0.0

Pre-Beta Release

Siam Quantum 2 is officially published in The Journal of Chemical Physics. Please cite this work as:

Teepanis Chachiyo, Hathaithip Chachiyo; Siam Quantum 2: An open-source C toolbox for quantum modeling and electronic structure development. J. Chem. Phys. 7 February 2026; 164 (5): 052501. https://doi.org/10.1063/5.0310183

What's New

• • Try our new Meta-GGA capability. For example,  -LIBXC=HYB_MGGA_XC_TPSSH

  • See LibXC documents https://libxc.gitlab.io/functionals/previous/libxc-5.2.3/ for DFT functional keyword.

  • See docs/ for comprehensive compiling and programming guide with Markdown + LaTeX documents

Get it now

• Source Distribution [Download]

• Executables

  • Windows [Download]  compiled with MinGW, gcc 6.3.0, lapack-3.12.1, and libxc-5.2.3 (using autoconf)

  • Linux        [Download]  compiled with Ubuntu 24.04 LTS Desktop AMD-64, gcc 13.3.0, lapack-3.12.1, and libxc-5.2.3 (using cmake)

  • MacOS     [Download]  compiled with macOS Macbook Pro M1, homebrew gcc 15.2.0, lapack-3.12.1, and libxc-5.2.3 (using cmake)