Candid Student Reports The following (emails) were written by members of the TIP Tapper program during the first day of the program. Some elements may have been removed for various reasons, but the text that remains is in the student's own words.
Today was mostly following directions, which is easy enough. But figuring out why we are doing it or how to figure out what to do on your own, that's the challenge for the next couple weeks. It was a frustrating day. We first got to listen to the lecture about appl- ication, algorithm and architecture. The question was for today was how close lithium and hydrogen have to be to bond. To figure out an approximation for the MO and AO, we used different basis sets, first STO and GTO then STO-3g or -6g or whatever else confusing things there were. But I guess the basic point of all that was to show how some stuff is more accurate that others, but it took a long time. Chemistry was sort of confusing, so that made the whole thing worse. Russell was so bad he made two hydrogen atoms instead of a lithium and hydrogen atom. Thought I will have for the next 3 weeks : What did i get myself into?!!!! Thats alright this is kind of fun.
Modeling seems very involved and detail-oriented... thank goodness there are two of us, or it would be impossible for us to get it right. It was nice getting handouts, making it unnecessary to take notes. Hopefully Bob2 will explain EVERYTHING this much and we should be able to under- stand it. We really like rope tricks, please continue... Application...algorithm...architecture
Today our instructor showed us the concept of observation through doing a rope trick. We learned the process of computational science, which involves the steps or identifying the application of science, forming a mathematical algorithm to solve this application, and using computer architecture to create a model. In his lecture, our instructor discussed how often researchers must use assumptions and approximations when it comes to computational science. We applied this in a hypothetical quantum chemistry problem involving the distance between two atoms in a molecule and how it affects the electron clouds in the bond. Since many of us had not studied quantum chemistry in depth, the problem was considerably confusing. However, as the class progresses, we expect to have a better grasp of the process of computational science.
We learned about GTOs and STOs. It was confusing at first, but, after an explaination, it was somewhat understandable. We also learned about Application, Algorithm, and Architecture. We think it's gonna be very challenging but fun at the same time. We made some excellent(WOW!) electron densities. Bob2 was very patient with the class.
After listening to more lectures for a while, we finally got to get on the computers, which was good. The first problem was pretty complicated, and I'm sure it will get harder from here. I still don't really see how some of this (like electron clouds and all that) is useful. I'll just see what happens from here on.
We started the day with lectures, which were kind of long, but we took breaks so it wasn't that bad. We got on the computers and it was relatively difficult, but interesting. Everything didn't always work perfectly, but Bob 2 was very helpful. Overall, I enjoyed today, and I think this program will be fun but challenging.
This course looks challenging! It will be difficult, but i look forward to the rest of the course. Today we learned the basics about computational modeling. The most general principles are application, which is is the scienece behind the model; the algorithm, which is the mathematics behind the model; and the architecture, which is the acutal use of a computer to create a visual model. ONce the basics were done with, we worked on a computational chemistry problem. The formulas behind the chemistry were a little complicated, but i felt that i could keep a reasonable understanding of the material. I found the acutal modeling part the most interesting. Tomorrow's problem about atmospheric pollution seems ominous, but I look forward to tackling it.
Today was a good warm-up for molecular modeling and using applicable software. Bob was a wonderful speaker and I appreciate his knowledge of the subject. I regret not being able to learn the details of the sciences with which we were working. I'm looking forward to touching on advanced sciences. Chemistry and physics are a few of my favorite topics. With the tools we put to use, and the info provided, it was easily assessed and employed.
|
|
Last Update: Please direct questions and comments about this page to WebMaster@shodor.org © Copyright 1999 The Shodor Education Foundation, Inc. |