Notices (Summer 2021):

On-site access to the MGCF in 175 Tan Hall is now available. If you have been struggling with Maestro or Comsol on a tiny laptop screen, you can switch to on-site access in the MGCF with hi-res, large screen workstations in a comfortable computer room.

New Software: Maestro is version 2021-2, Quantum Espresso is version 6.6, QChem is version 5.4.0, XTB is version 6.4.1, Orca version 5 is available for testing.

Please acknowledge NIH S10OD023532 in publications using the MGCF and email us the reference.

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About Us: The MGCF (Molecular Graphics and Computation Facility) is in 175 Tan Hall and is a high-performance computing resource specializing in chemistry and related disciplines. We serve over 50 research groups in the College of Chemistry and the wider UC Berkeley campus community. We also serve research groups at other universities including MIT, U of Oregon, U of Texas, and other UC's. The MGCF was founded in 1990 with NIH funding and has since been supported through NIH, NSF and generous corporate sponsorship from Intel, Dell and others.

We have 2 full-time scientists providing technical consulting on project feasibility, equipment and software use. More details are here.

Email the Facility Director, Dr. Kathleen Durkin, for more information.

Kavli ENSI: The MCGF provides computing resources for Kavli ENSI researchers. There are 2 dedicated Kavli ENSI workstations in 175 Tan Hall but Kavli ENSI researchers have full access to all MGCF resources as described on these pages.

The MGCF is fully accessible via on-site and remote access. Please email us if you need help! Most technical issues are best handled via email but if you want to talk about theory or planning, suggest some times and we'll set up a Zoom or in person meeting.