Don't forget, you can now run Q-Chem calculations easily on AWS with Q-Cloud! The command line interface makes it quick and easy to set up and launch a cluster in the cloud. Learn more here: q-chem.com/explore/qcloud/

Q-Chem developers use TDDFT-1D in Q-Chem to study the photodynamics of TCNE-HMB, gaining useful insights with exciting implications for the applicability of Marcus theory to photochemistry in non-innocent solvents. doi.org/10.1021/acs.jc… Try Q-Chem: q-chem.com/try/

In this paper, Q-Chem developers present a novel EOM-CC-based approach for computing Auger decay rates. Their exciting new implementation was done in Q-Chem! doi.org/10.1039/D5CP02… Interested in becoming a Q-Chem developer? Learn more here: q-chem.com/about/team/dev…

Check out this recent paper from researchers at UC Berkeley, who use Q-Chem's EOM-CC, TDDFT, and excited state analysis module to investigate a new correction to linear response methods for excited states. doi.org/10.1021/acs.jc… Try Q-Chem today: q-chem.com/try/

Congratulations to Q-Chem developers on their recent paper, in which they extend occupied-virtual orbitals for chemical valence (OVOCV) in Q-Chem to study transitions between ground and excited states. doi.org/10.1021/acs.jc… Try Q-Chem: q-chem.com/try/

Q-Chem is pleased to introduce our latest release, Q-Chem 6.3.1! For a full list of updates, fixes, and resolved issues, please review the release log here: q-chem.com/support/releas… If you want to try Q-Chem 6.3.1, you can request a demo license here: q-chem.com/try/

Congratulations to Q-Chem developers on their recent publication, in which they develop non-orthogonal quasi-degenerate perturbation theory to enable XPS calculations for L-edge and beyond! doi.org/10.1021/acs.jc… Try the new Q-Chem 6.3 release today: q-chem.com/try/

Don't miss the next Q-Chem webinar this Friday! Xinchun Wu will be discussing the exciting work she did at Q-Chem this past summer, including constrained CASSCF for studying nonadiabatic systems and tight-binding calculation features. Register here: zoom.us/webinar/regist…

Don't forget that our latest Q-Chem release, Q-Chem 6.3.1, is now available for download! Check out the list of features available in Q-Chem 6.3 here: q-chem.com/explore/qc63/ Request a free trial: q-chem.com/try/

Coming soon to Q-Chem: Periodic boundary conditions! Read this preprint from researchers at Harvard, who present a new method for modeling electrochemical interactions at solid-liquid interfaces: doi.org/10.48550/arXiv… Learn more about PBC in Q-Chem: q-chem.com/webinars/73/

Don't forget, Xinchun's webinar on her cCASSCF and tight-binding implementations is happening soon! Register now—don't miss out!

Funding alert: The call for proposals for the next round of the Amazon Research Awards grants is now live! Submit your proposals by November 5: amazon.science/research-award… Don't forget, there's a new way to run Q-Chem on AWS, Q-Cloud! Learn more here: q-chem.com/explore/qcloud/

Read this preprint in which Manisha and Prashant Uday Manohar present their FNO implementation for EOM-CCSDT for IP, DIP, EA, and DEA. Their implementation is available in Q-Chem 6.3! arxiv.org/pdf/2509.14157… Try FNO-CCSDT yourself in Q-Chem: q-chem.com/try/

Check out this recent paper, in which authors model the excitation energy and CT pathways in the HbRC reaction center, an analogue of more complicated photosynthetic systems. They use Q-Chem's TDDFT and PCM features. doi.org/10.1021/acs.jp… Try Q-Chem: q-chem.com/try/

In this preprint, Q-Chem developers extend regularized second order perturbation theory methods to Q-Chem's PBC code for solid state systems (still in development!): arxiv.org/abs/2508.15744 Join our newsletter to be notified when QCPBC is available: q-chem.com/email_signup/

Congratulations to Q-Chem president Anna Krylov on being awarded the 2025 George Gamow Award by the Russian American Science Association (RASA)! Read the press release here: rasa-usa.org/en/conferences…

Did you miss Xinchun Wu's webinar earlier this month? Don't worry—the recording is now available on our YouTube channel! Watch now to learn about her work developing CASSCF and tight-binding methods in Q-Chem: youtu.be/aP3N-bzTS5E

Can energy decomposition analysis (EDA) be used for excited states? In this recent preprint, Q-Chem developers present an approach for using EDA with ROKS, which is used for single-electron excitations. doi.org/10.26434/chemr… Try Q-Chem: q-chem.com/try/

In this recent paper, authors use Q-Chem's new heterogeneous PCM solvent model ("HetPCM") to resolve a long-standing question about the thermodynamic driving force that puts amphiphiles at the air/water interface. doi.org/10.1039/D5CC04… Try Q-Chem today: q-chem.com/try/

In this recent paper, authors use penalty-constrained geometry optimization and SF-LC-TDDFT in Q-Chem 6.3 to study the fluorescence quenching mechanism of a styrene derivative at a conical intersection: doi.org/10.1021/acsome… Try Q-Chem 6.3 today: q-chem.com/try/