Mod:intro
See also: [Chem Lab], Breaking news, Laptop use, Intro lecture, Programs, Inorganic, Physical, Writing up
Contents
Specific times
- Week 2 (Friday): submit the wiki address for your report on Blackboard by 12:00
- You can submit your wiki address early (before 12:00) and continue to edit your wiki up to 12:00.
- Any material added after 12:00 will not be marked (unless you have been granted an extension)
Locations
Work in the computer lab on Level 2 (232A).
Expected hours in the Lab
The lab times are 14:00-17:00 on Mon, Tue, Thur and Fri. You not restricted to these times, but you should be able to complete your computational experiment over two weeks and write up in the time available. It is up to you to manage your time: do not do too much or too little. Ask a demonstrator or staff if you are at all unsure.
No student is expected to spend more time on an individual computational experiment than they would on an experiment in any 3rd year lab based course.
Address your questions to the demonstrators during the lab hours they are available. Some will be contactable via email. If you are struggling with the suggested times allocated for each part of the experiment, seek help from a demonstrator.
Demonstrator and Staff help and feedback times
Demonstrators are available Mon,Tues,Thur,Fri in the upstairs / Level 2 computer room.
If you have a question, talk with a demonstrator first. Demonstrators are not just there to help, they can also offer feedback on completed work before it is marked.
Demonstrator times depend on the computational experiment you are carrying out.
Report submission
Submit the URL for your Wiki report from this address by the appropriate deadline. These deadlines are on the Friday of the end of the second week of each experiment.
You should expect to get a grade on blackboard within 10 working days. If you have heard nothing and have not received a grade in blackboard, please contact immediately the responsible for the experiment to make sure your work has not gone missing.
Please note an new College policy: work submitted late will receive zero marks. Any sections completed by the hand-in date will be assessed for full marks, additional material added after this will not be marked. If you are having problems, are ill or have extenuating circumstances please see Dr Patel as early as possible, extensions may be granted and will be determined on a case-by-case basis.
Lab overview:
The core modules on offer:
Each of the lab modules introduces new types of computational chemistry techniques and their applications. Some of these computational methods involve only a few seconds of actual computing, and are easily accomplished on a laptop computer interactively. Others may run for many hours, and are best done in batch mode on a computing cluster. You will learn how to handle your laptop computer as "a laboratory instrument", delivering a variety of information about moleculer systems.
Module 1: Bonding analyses using Ab initio and Density functional techniques.
Module 2: Reaction mechanisms and transition states.
The nature of the topic requires a different mode of presentation to the usual word-processed document. You will instead present your results in the form of a Wiki page unique to yourself. The course documentation also takes the form of a Wiki, and YOU as well as the course organisers can contribute to the instructions. If you feel you can improve on aspects of the documentation, or e.g. add further key literature references etc (very much in the spirit of the Wikipedia itself), do please go ahead and take the plunge!
See also:[Chem Lab] Breaking news, Laptop use, Intro lecture,Programs, Module 1, Inorganic, Physical, Writing up
