To our valued customers and fellow computational chemists,
The worldwide spread of COVID-19 affects us all. The Q-Chem team will continue to keep those directly affected by this virus in our thoughts, as we work remotely as part of sheltering in place. It is at times like this that we are all reminded about what is most important.
For the duration of the crisis, Q-Chem would like to offer our current users alternative options for using Q-Chem while they do not have access to their usual computing resources:
- Easy extension of current licenses to new resources, even if that exceeds current limits, to help our current customers to continue research using laptops, home desktops, and in the Cloud;
- Using Q-Chem in the Cloud. Upon request for the duration of this crisis, we will provide a free license for our existing customers to use Q-Chem in the Cloud. You can view instructions on how to deploy Q-Chem in the Cloud here.
For current trial license users we offer to extend your licenses until after university offices are back to work.
Q-Chem values you and the trust you put in us to provide for your computational research needs. The entire Q-Chem team is here to support you in the coming months. If we can assist you in any way, please do not hesitate to let us know.
All our best,
The Q-Chem Team
Additional ways to continue your computational studies from home:
- Computational laboratories. We have instructions on how to use Q-Chem for teaching via the IQmol interface, links to tutorials, manuals, videos (can be used as a guest lecture), as well as a selection of computational assignments that can be given to students as homework or in-class exercises. There are 11 labs covering different types of quantum-chemistry calculations that can be used in classes that include physical chemistry, quantum mechanics, chemical bonding, spectroscopy, quantum chemistry, and photochemistry. To learn more, visit our webpage with instructional materials based on the Q-Chem/IQmol software: http://www.q-chem.com/InstructionalMatls.html.
- Free remote execution of teaching scale calculations. For low-volume users, we offer a free service: such users can submit short Q-Chem jobs (up to 10 minutes) to the Q-Chem server without purchasing a license. The graphical user interface, IQmol, is downloadable at no cost, and is automatically configured for the submission to the Q-Chem server. This permits the computational exercises above to be completed.
- A new Github repository for sharing additional educational materials: https://github.com/qchemsoftware/teaching.
- Learning more about what computational chemistry can do - here is a great selection of lectures from the annual Virtual School in Theoretical Chemistry: https://winterschool.cc/
- If you are already familiar with basic quantum chemistry and want to practice — teach yourself by doing these short computational labs: http://www.q-chem.com/InstructionalMatls.html.
To get going, you only need to install free IQmol software.
- More advanced computational chemists may benefit from 39 Q-Chem webinars posted at https://www.youtube.com/user/QChemSoftware . Alternatively, one can view MP4 files of these webinars at http://www.q-chem.com/WebinarMp4s/WebinarVideoMP4s.html.
The webinars cover a range of topics, from modeling core-level spectroscopies to solvent models, QM/MM, and calculations of electronic couplings for energy and charge transfer.
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