Q-Chem
| Developer(s) | Q-Chem Inc., Q-Chem developer community |
|---|---|
| Stable release | 6.2.2
/ 21 November 2024 |
| Written in | Fortran, C, C++ |
| Operating system | Linux, FreeBSD, Unix and like operating systems, Microsoft Windows, Mac OS X |
| Type | Ab initio quantum chemistry, Density functional theory, QM/MM, AIMD, Computational chemistry |
| License | Commercial, academic |
| Website | www |
Q-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms that enable fast calculations of large systems on various computer architectures, from laptops and regular lab workstations to midsize clusters, HPCC, and cloud computing using density functional and wave-function based approaches. It offers an integrated graphical interface and input generator; a large selection of functionals and correlation methods, including methods for electronically excited states and open-shell systems; solvation models; and wave-function analysis tools. In addition to serving the computational chemistry community, Q-Chem also provides a versatile code development platform.