Upcoming Webinar: Coupled Cluster Developments in Q-Chem | |
| October 31, 2025 | |
| Join us on November 18 at 9PM Pacific time for a webinar from Manisha, one of our Summer at Q-Chem interns! Manisha is a PhD scholar in Prashant Manohar's group at BITS Pilani. Click here to view the abstract and register for her webinar. |
Webinar 82: Constrained CASSCF and Tight-Binding Calculations in Q-Chem | |
| October 3, 2025 | |
| Q-Chem is pleased to announce that our most recent webinar is now available for viewing! This webinar was presented by Xinchun Wu, one of our 2025 Summer at Q-Chem interns, on October 3, 2025. She presented on her recent work implementing constrained CASSCF and tight-binding calculations in Q-Chem. The webinar recording is available for viewing here. |
Q-Chem 6.3.1 Is Now Available! | |
| September 23, 2025 | |
| Q-Chem is pleased to introduce our latest release, Q-Chem 6.3.1. It includes several bugfixes and improvements to the recent 6.3 release! For a full list of updates, fixes, and resolved issues, please review the full 6.3 release log here. Any of our customers who have purchased Q-Chem 6.3 already can upgrade to Q-Chem 6.3.1 for free! Don't forget that Q-Chem is also now available on… Read More |
John Herbert Awarded Diversity Enhancement Faculty Award | |
| August 7, 2025 | |
| Congratulations to Q-Chem developer and board member Prof. John Herbert on receiving the 2024-2025 Diversity Enhancement Faculty Award! The award recognizes the outstanding accomplishments of faculty at The Ohio State University College of Arts and Sciences whose research, teaching, and outreach efforts promote a culture of diversity, inclusivity, and equity. You can read the official… Read More |
Upcoming Q-Chem User Workshop: Pittsburgh | |
| July 23, 2025 | |
| Join us in Pittsburgh for our next Q-Chem User Workshop, happening on July 23 from 9:00 AM—1:00 PM. Register 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 | |
| July 17, 2025 | |
| 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 Developer Thomas Jagau Receives CMOA Award | |
| July 15, 2025 | |
| Congratulations to Q-Chem developer Prof. Thomas Jagau on receiving the Promising Scientist Prize of Centre de Mechanique Ondulatoire Appliquée at the QSCP-XXVI International Workshop in Paris, France! Prof. Jagau is recognized for his ongoing contributions to the field of quantum chemistry, particularly his work with metastable states and development of novel methods for studying non-Hermitian quantum chemistry. Most of his… Read More |
Justin Talbot — 2025 Besley Award Winner | |
| July 11, 2025 | |
| The winner of the 2025 Nick Besley Award is Prof. Justin Talbot! The award committee is delighted to recognize him for his excellent contributions towards the computational vibrational spectroscopy of hydrated ions and the development of efficient methods for nonadiabatic dynamics simulations in Q-Chem. Prof. Talbot earned his BS in physics and applied mathematics and his PhD in physical chemistry at the University of Utah, where he worked with Prof. Ryan Steele in applications and… Read More |
Mathew Chow — 2025 Wormit Award Winner | |
| July 11, 2025 | |
| The winner of the 2025 Michael Wormit Award is Mathew Chow! He is recognized for his outstanding work as a Q-Chem developer, particularly his work developing nuclear-electronic orbital (NEO) methods for studying nuclear quantum effects in molecular systems. Mathew is currently pursuing a PhD in Prof. Sharon Hammes-Schiffer's group at Princeton University. He has made many valuable contributions to the NEO code in Q-Chem, including new implementations of multiscale approaches such as… Read More |
Q-Chem Developers Elected To WATOC Board | |
| July 1, 2025 | |
| 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 |
Upcoming Webinar: Coupled Cluster Developments in Q-Chem |
| October 31, 2025 |
|
Join us on November 18 at 9PM Pacific time for a webinar from Manisha, one of our Summer at Q-Chem interns! Manisha is a PhD scholar in Prashant Manohar's group at BITS Pilani.… Read More |
Webinar 82: Constrained CASSCF and Tight-Binding Calculations in Q-Chem |
| October 3, 2025 |
|
Q-Chem is pleased to announce that our most recent webinar is now available for viewing! This webinar was presented by Xinchun Wu, one of our 2025 Summer at Q-Chem interns, on October 3, 2025. She… Read More |
Q-Chem 6.3.1 Is Now Available! |
| September 23, 2025 |
|
Q-Chem is pleased to introduce our latest release, Q-Chem 6.3.1. It includes several bugfixes and improvements to the recent 6.3 release! For a full list of updates, fixes, and resolved issues, … Read More |
John Herbert Awarded Diversity Enhancement Faculty Award |
| August 7, 2025 |
|
Congratulations to Q-Chem developer and board member Prof. John Herbert on receiving the 2024-2025 Diversity Enhancement Faculty Award! The award recognizes the outstanding accomplishments of… Read More |
