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Fast, Accurate, Robust Quantum Chemistry

Q-Chem provides a vast library of state-of-the-art methods for modeling molecular systems, enabling quick, accurate predictions of electronic and molecular structure, reactivities, properties, spectra, and more.

Fast, Accurate, Robust Quantum Chemistry

Q-Chem provides a vast library of state-of-the-art methods for modeling molecular systems, enabling quick, accurate predictions of electronic and molecular structure, reactivities, properties, spectra, and more.

 

Recent Publication Highlights

Upcoming Q-Chem User Workshop: Pittsburgh

Aerial shot of Pittsburgh (photo credit: Tyler Rutherford, Unsplash)

Join us in Pittsburgh for our next Q-Chem User Workshop, happening on July 23 from 9:00 AM—1:00 PMRegister here!

This Q-Chem User Workshop will feature talks from Q-Chem team members, as well as hands-on demonstrations and exercises. Explore new features, hear from experts, and learn useful strategies for running fast, accurate ab initio quantum chemistry… Read More

Upcoming Webinar: Nuclear–Electronic Orbital ab initio Wave Function Methods in Q-Chem

Jonathan Fetherolf

Don't miss our next Q-Chem webinar, Nuclear–Electronic Orbital ab initio Wave Function Methods in Q-Chem, happening on July 17th at 10AM PDT. Register here!

Nuclear quantum effects such as zero-point energy and hydrogen tunneling play important roles in chemical and biological processes. The nuclear–electronic orbital (NEO) approach… Read More

Q-Chem Developers Elected To WATOC Board

Shirin Faraji, Roi Baer, and Andreas Dreuw.

Congratulations to Q-Chem developers Shirin Faraji, Roi Baer, and Andreas Dreuw on being elected to the board of the World Association of Theoretical and Computational Chemists (WATOC)! We are thrilled to have these researchers as part of our community and excited to see their ongoing contributions to the field of… Read More

Virtual Q-Chem User Workshop

VWSCC Logo (blue laptop with red text on the screen reading "VWSCC" alongside snowflakes)

Recordings from our recent Q-Chem User Workshop (held virtually on June 11, 2025) are now available! This free workshop, hosted in collaboration with the Virtual Winter School in Computational Chemistry and OMSF, provided an introduction to several basic features within the Q-Chem software package. It included several hands-on exercises using IQmol, Q-Chem's free molecule visualizer and job server.

Thanks to all of you for making this workshop a… Read More

Upcoming Q-Chem User Workshop: Pittsburgh

Aerial shot of Pittsburgh (photo credit: Tyler Rutherford, Unsplash)

Join us in Pittsburgh for our next Q-Chem User Workshop, happening on July 23 from 9:00 AM—1:00 PMRegister… Read More

Upcoming Webinar: Nuclear–Electronic Orbital ab initio Wave Function Methods in Q-Chem

Jonathan Fetherolf

Don't miss our next Q-Chem webinar, Nuclear–Electronic Orbital ab initio Wave Function Methods in Q-Chem, happening on July 17th at 10AM PDT.… Read More

Q-Chem Developers Elected To WATOC Board

Shirin Faraji, Roi Baer, and Andreas Dreuw.

Congratulations to Q-Chem developers Shirin Faraji, Roi Baer, and… Read More

Virtual Q-Chem User Workshop

VWSCC Logo (blue laptop with red text on the screen reading "VWSCC" alongside snowflakes)

Recordings from our recent Q-Chem User Workshop (held virtually on June 11, 2025) are now available! This free workshop, hosted in collaboration with the Virtual… Read More

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