Q-Chem Partnerships
Q-Chem is proud to partner with the following companies:
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BrianQC
Single Point Density Functional Theory Speedup graph
Single Point Hartree-Fock Speedup
Scaling Measurement_High Res Molecules
Wall time of DFT (M06-2X) energy evaluation in def2-QZVP basis set
BrianQC is a GPU module for Q-Chem. It speeds up Density Functional Theory and Hartree-Fock single point up to an order of magnitude on a single GPU. Furthermore calculate geometry optimization, frequency calculations and many other methods considerably faster thanks to this new module.
Additionally use BrianQC as a quantum chemical GPU toolkit and Software Development Kit (SDK) and build the application you want.
Request a two-month complimentary trial of Q-Chem with the BrianQC module today!
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Spartan
SpartanFull Logo
Sample Image Generated with Spartan
Sample Image Generated with Spartan
DFT Method Selector
Spartan Icons
Spartan '18: The latest addition to Wavefunction’s line of molecular modeling software for research and education!
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'18 Parallel Suite, and the Spartan Spectra & Properties Database are now available for Windows, Mac, & Linux. A wide range of modern computation models behind an elegant state-of-the-art interface = "Chemistry at Your Fingertips".
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WebMO
WebMO Build Molecule image
WebMO Run Job image
WebMO Visualize Results image
WebMO is a web-based interface to computational chemistry packages.
WebMO allows one to set up, run, and visualize chemical calculations from a web browser, smartphone, or tablet.
WebMO is the interface between users and the computational chemistry programs. WebMO lets users setup, run, and visualize computational chemistry calculations using the web browser on their computer. WebMO handles all the details of creating input files, submitting jobs, and interpreting output files.