Q-Chem has developed resources to assist you in continuing your calculations during this challenging time. Click to find out more.



New to Q-Chem? Check out the video about Q-Chem here.



Buy and Get free QMP

Q-Chem 5.2:
Facilitating Worldwide Scientific Breakthroughs


Q-Chem is a comprehensive ab initio quantum chemistry software for accurate predictions of molecular structures, reactivities, and vibrational, electronic and NMR spectra. The new release of Q-Chem 5 represents the state-of-the-art of methodology from the highest performance DFT/HF calculations to high level post-HF correlation methods:


IQmolhttp://www.iqmol.com

IQmol: The smart choice in molecular visualization software!

The above image, generated in IQmol, shows the lowest unoccupied molecular orbital (LUMO) for the 12-crown-4 ether complexed with a lithium cation. The mesh superimposed on the system shows the total density.



BrianQChttp://brianqc.com

BrianQC speeds up Q-Chem by calculating time consuming steps on your GPU.

BrianQC is a new quantum chemistry software which fully exploits the computational power of GPU's. Its innovative compiler technique will speed up your simulations by making your Q-Chem software run on GPU’s. BrianQC is the first GPU quantum chemistry software capable of calculating high angular momentum orbitals (f and g) as well, and it is highly efficient for simulating large molecules and quantum systems.



Q-Chem is available a stand-alone package with a fully integrated graphic interface IQmol. It also serves as the back-end of Spartan:
Spartan

Spartan '18: The latest addition to Wavefunction’s line of molecular modeling software for research and education!

Spartan '18:  Enhanced, Refined, and Faster than ever. The Parallel Suite includes utilization of up to 16 cores for select tasks as well as the Spartan Spectra and Properties Database, and the ability to act as a Computational Server for jobs submitted from other Spartan Parallel Suite, Spartan licenses, or iSpartanapps (on the iPad, iPhone, or iPod Touch).
For more information click visit www.wavfun.com.


Q-Chem News & Events

HomeHow to BuyFeaturesTechnical Support
Workshops/WebinarsInstructional Materials
Careers at Q-Chem • About UsContact UsFree Demo