Q-Chem is an ab initio quantum chemistry software package for fast and accurate simulations of molecular systems, including electronic and molecular structure, reactivities, properties, and spectra.
Q-Chem 2024 Developer Highlights | |
Happy New Year from Q-Chem! As we welcome 2025, we want to celebrate the accomplishments of our Q-Chem developers over the past year. We have compiled a list of highlighted journal publications from Q-Chem developers in 2024; check them out to discover what some of our developer groups have been working on! Please note that the list below is not comprehensive, so if you would like to see a specific journal article highlighted on this list, please reach… Read More |
2024 Q-Chem Developer Workshop | |
The 2024 Q-Chem Developer Workshop took place virtually from December 16—19th, in half-day-long sessions. This free workshop was open to all Q-Chem developers regardless of experience, and provided an introduction to developing in Q-Chem. Topics included introductory materials for beginners (proper use of debuggers, tips for troubleshooting compilation errors, and the Q-Chem development cycle), as well as materials for more advanced developers (how… Read More |
Q-Cloud Is Coming! | |
Mark your calendars: Q-Cloud is coming on January 1, 2025! Q-Cloud is a new product that allows users to run Q-Chem on AWS cloud computing architecture. Cloud computing offers many benefits over traditional computing models, including flexible resource scaling; reduced infrastructure, support, and maintenance costs; ongoing access to the most cutting-edge technology; and improved energy efficiency. For more information about the benefits and features… Read More |
John Herbert Elected ACS COMP Chair 2026 | |
Congratulations to Q-Chem board member Prof. John Herbert on being selected as the Chair 2026 (2025 Chair-elect) of the ACS COMP Division! This division serves a diverse community of chemists who are interested in a broad range of theoretical chemistry applications. They encourage education, mentorship, and career-building, and they support scientific communication, collaboration, and outreach among computational chemists. To learn … Read More |
Q-Chem 2024 Developer Highlights |
Happy New Year from Q-Chem! As we welcome 2025, we want to celebrate the accomplishments of our Q-Chem developers over the past year. We have compiled a list of… Read More |
2024 Q-Chem Developer Workshop |
The 2024 Q-Chem Developer Workshop took place virtually from December 16—19th, in half-day-long sessions. This free workshop was open to all Q-Chem developers… Read More |
Q-Cloud Is Coming! |
Mark your calendars: Q-Cloud is coming on January 1, 2025! Q-Cloud is a new product that allows users to run Q-Chem on AWS cloud computing architecture. Cloud… Read More |
John Herbert Elected ACS COMP Chair 2026 |
Congratulations to Q-Chem board member Prof. John Herbert on being selected as the Chair 2026 (2025 Chair-elect) of the ACS COMP Division!… Read More |