2015 AMS-536 Spring
From Rizzo_Lab
| Instructor | Dr. Robert C. Rizzo [631-632-9340, robert.rizzo@stonybrook.edu] |
|---|---|
| Teaching Assistant | Brian Fochtman [631-632-8519, brianfochtman@gmail.com] and Jiaye Guo [631-632-8519, jguokelly@gmail.com] |
| Course No. | AMS-536 / CHE-536 |
| Location/Time | Math Tower, Room S235 (COMPUTER LAB next to SINC site), Mon/Wed 2:30PM - 3:50PM |
| Office Hours | Anytime or by appointment, Math Tower, Room 3-129, Dept. of Applied Math & Statistics |
| Acknowledgments | The AMS-536 instructors would like to thank: (1) Chemical Computing Group at http://www.chemcomp.com for generously providing MOE software teaching licenses |
Project Information
Student Project Proposal OHARE Sheet
Oral Presentation Guidlines: These meetings should be formal and your chance to tell a complete story. Talks should be presented in PPT format and be 30 minutes long. The purpose of your talks is for you to clearly and concisely present your overall progress to date including appropriate background material and interpretation of your results. Talks should be arranged in the following order:
- Introduction/Background (include biological relevance)
- Specifics of Your System
- Computational Details (theory)
- Computational Details (system setup)
- Results and Discussion (include a critical interpretation of your results)
- Conclusions
- Future
- Acknowledgments
Final Report Guidelines and Example Final Papers
Tutorials, Software Links, and Other Relevant Class Information
- Rizzo_Lab_Information_and_Tutorials
- Cheat Sheet: Unix, Vi, C_Shell_Scripting
Schedule
- Each participant please update the Wiki as required with the title of your talk.
- Please note that a doctors excuse will be required if you miss your scheduled oral presentation date because of illness.
| Date | Participant | Talk | |
| SECTION 1: COMPUTING INFRASTRUCTURE AND TOOLS | |||
| 2014.01.26 Mon | Snow Day | Mathlab account setup Discuss oral presentations and written report handouts for unix / vim / csh tutorials | |
| 2014.01.28 Wed | First Day of Class Group Study |
Mathlab/Seawulf accounts setup unix / vim / csh tutorials Discuss presentations and final projects | |
| 2014.02.02 Mon | Group Study | Confirm Mathlab accounts work Go over unix / vim / csh tutorials Seawulf account setup | |
| 2014.02.04 Wed | Group Study | Visualization/analysis software VMD, Chimera, and MOE | |
| 2014.02.09 Mon | Group Study | Visualization/analysis software VMD, Chimera, and MOE | |
| 2014.02.11 Wed | Group Study | Ethics in Writing, Rizzo Rob | |
| SECTION 2: DOCK TUTORIAL ( Joe Allen Presentation ) | |||
| 2014.02.16 Mon | Group Study | Tutorials: DOCK individual project discussion | |
| 2014.02.18 Wed | Group Study | Tutorials: DOCK individual project discussion | |
| 2014.02.23 Mon | Group Study | Tutorials: DOCK individual project discussion | |
| 2014.02.25 Wed | Draft Student Project Proposal OHARE Sheet Due Group Study |
Tutorials: DOCK individual project discussion | |
| 2014.03.02 Mon | Group Study | Tutorials: DOCK finalize class wiki tutorial | |
| SECTION 3: AMBER TUTORIAL ( Lingling Jiang presentation ) | |||
| 2014.03.04 Wed | Group Study | Tutorials: AMBER individual project discussion | |
| 2014.03.09 Mon | Group Study | Tutorials: AMBER individual project discussion | |
| 2014.03.11 Wed | Final Student Project Proposal OHARE Sheet Due Group Study |
Tutorials: AMBER individual project discussion | |
| 2014.03.16 Mon | Spring Recess | Spring Recess | |
| 2014.03.18 Wed | Spring Recess | Spring Recess | |
| 2014.03.23 Mon | Group Study | Tutorials: AMBER individual project discussion | |
| 2014.03.25 Wed | Group Study | Tutorials: AMBER finalize class wiki tutorial | |
| SECTION 4: PROJECT PRESENTATIONS | |||
| 2014.03.30 Mon | X and X | Oral Presentations: Project Proposal | |
| 2014.04.01 Wed | X and X | Oral Presentations: Project Proposal | |
| 2014.04.06 Mon | X and X | Oral Presentations: Project Proposal | |
| 2014.04.08 Wed | X and X | Oral Presentations: Project Proposal | |
| 2014.04.13 Mon | X and X | Oral Presentations: Project Proposal | |
| 2014.04.15 Wed | Preliminary Written Report Due X and X |
Oral Presentations: Project Proposal | |
| 2014.04.20 Mon | X and X | Oral Presentations: Progress Report | |
| 2014.04.22 Wed | X and X | Oral Presentations: Progress Report | |
| 2014.04.27 Mon | X and X | Oral Presentations: Progress Report | |
| 2014.04.29 Wed | X and X | Oral Presentations: Progress Report | |
| 2014.05.04 Mon | X and X | Oral Presentations: Progress Report | |
| 2014.05.06 Wed | X and X | Last Day of Class | |
| 2014.05.13 Wed | Final Written Report due by 5PM today. Late papers will not be accepted. See above for sample reports and detailed guidelines. | Hand hard copy to Brian Fochtman or Jiaye Guo (Math Tower room 3-129) and email electronic copy to rizzorc@gmail.com |
