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 structure.
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 structure.
Register for the 2023 Q-Chem Developer Meeting! | |
| We are pleased to announce that the 2023 Q-Chem Developer Meeting will be happening on December 17–18 at the University of California, Berkeley. This meeting will focus on providing a gentle introduction to the process of developing within Q-Chem, and will include lectures presented by the Q-Chem team and board members, tutorial sessions, and hands-on hackathon sessions. Lunch will be provided on both days, and a social hour will be happening on Sunday evening, for those who would like to… Read More |
Q-Chem President Anna Krylov Awarded Barry Prize | |
| Congratulations to Q-Chem President Anna Krylov on receiving the inaugural Barry Prize for Distinguished Intellectual Achievement from the American Academy of Sciences and Letters (AASL). This award recognizes scholarly excellence across a wide breadth of fields. Prof. Krylov was recognized for her significant contributions within the field of quantum chemistry, as well as her dedication to science communication, mentorship, collaboration, and advocacy. |
Q-Chem 2023 Holiday Sale! | |
| Happy holidays! It's time for Q-Chem's annual holiday sale, happening in November and December! A 12% discount will be applied to all license orders and license upgrades placed directly with Q-Chem before the end of December 2023. (Please note: This sale does not apply to reseller sales.) |
Q-Chem Webinar 71: Development of NEO Methods in Q-Chem 6 | |
| Nuclear quantum effects such as zero-point energy and nuclear density delocalization are important in a variety of applications in chemistry and biology. The nuclear-electronic orbital (NEO) approach is a multicomponent quantum chemistry method capable of capturing significant nuclear quantum effects in a conceptually attractive and computationally efficient manner. By treating key nuclei, usually protons, quantum mechanically, the NEO method incorporates nuclear quantum effects and non-Born… Read More |
Register for the 2023 Q-Chem Developer Meeting! |
|
We are pleased to announce that the 2023 Q-Chem Developer Meeting will be happening on December 17–18 at the University of California, Berkeley. This meeting will focus on providing a gentle… Read More |
Q-Chem President Anna Krylov Awarded Barry Prize |
|
Congratulations to Q-Chem President Anna Krylov on receiving the inaugural Barry Prize for Distinguished Intellectual Achievement from the American Academy of Sciences and Letters (AASL). This… Read More |
Q-Chem 2023 Holiday Sale! |
|
Happy holidays! It's time for Q-Chem's annual holiday sale, happening in November and December! A 12% discount will be applied to all license orders and license upgrades placed directly with Q-… Read More |
Q-Chem Webinar 71: Development of NEO Methods in Q-Chem 6 |
|
Nuclear quantum effects such as zero-point energy and nuclear density delocalization are important in a variety of applications in chemistry and biology. The nuclear-electronic orbital (NEO)… Read More |
