Chem260 in the MGCF. (http://mgcf.cchem.berkeley.edu/)
Facility Director, Dr. Kathy Durkin firstname.lastname@example.org
Facility Scientist, Dr. Dave Small email@example.com (reaches both Kathy & Dave).
Your 4 tasks are: Training, Proposal, Project and Report.
1) Sign up for one 3 hour MGCF training session (signup link requires either bmail or gmail identity).
2) Before your training session, do the prelab at http://mgcf.cchem.berkeley.edu/mgcf/chem260/prelab/
(Write your answers on a piece of paper (or google doc), and bring it (or share) to the training session.
Handwritten is fine but you can email/share the prelab answers to Kathy and Dave if you prefer.)
3) Optional: view lecture at http://mgcf.cchem.berkeley.edu/mgcf/chem260/lecture/
Some people report it is more useful to view this after the training.
4) Attend the 3 hour MGCF training session which you signed up for in step 1. Bring your prelab answers when you come for training.
During and after the training, think about how you might use computations to aid in your research. Talk to us about it and we'll give advice and guidance.
Your 3 remaining tasks are part of a personal computational project.
5) In the week after your training, write up a brief proposal for a small computational project. This proposal should be very short (about 1-2 pages) and should discuss some chemistry you would like to investigate with computations. Guidelines and project suggestions are here: projects.html
Email your proposal to Kathy Durkin and Dave Small firstname.lastname@example.org. This is due 1 week after your training session! If your training session was 10/9, then your proposal is due 10/16, etc. All proposals should be in by 10/20. We in the MGCF will review your proposal and respond with comments and suggestions. We normally do this within a few days of receiving your proposal.
Project (10/21-12/1): For the rest of the semester, you are free to come to the MGCF to work on your project.
6) In the week after we review your proposal, we will ask you to come into the MGCF, individually or in small groups so that you can get started on doing the actual calculations while we are present to help you.
7) You can come to the MGCF at your convenience during the rest of the semester but you must not wait till the last minute. Many projects will involve small amounts of your time but large amounts of cpu time spread over weeks. You will also need support from from MGCF staff. These resources will get scarcer later in the semester. You should start right away and try to do most of the work before Thanksgiving.
Report (Due 12/1):
8) Write up the project report. This is a few pages of text/figures/data about your results.
Guidelines and suggestions are here: projects.html
This is due on the last day of classes, Friday 12/1.
Summary of Dates:
3 hour training session in MGCF: 10/9-10/13 (contact Kathy and Dave email@example.com asap if you can't make one of the scheduled training sessions). Send a list of your available time slots that are at least 2 hours, 3 hours preferrable. Do this today!
Proposals due: one week after your training session (email pdf or share google doc with Kathy and Dave).
Guidelines and project suggestions are here: projects.html
Reports due: Friday 12/1 (email pdf or google doc share to Kathy and Dave firstname.lastname@example.org). You should start early on your project calculations to ensure you get enough cpu time and support time in the MGCF so there is not a huge rush at the end of the semester. The final report is a few pages summarizing your work (see projects link for details) The key thing is that the calculations may take some time, where you set up calculations, come back a day later to review, resubmit, etc. so we need everyone to plan accordingly. This will make more sense once you do the training.
Contact Info and Tutorial links are at: http://mgcf.cchem.berkeley.edu/mgcf/tutorials.html
This Chem260 page is hosted as a google doc but you can reach it from: http://mgcf.cchem.berkeley.edu/chem260