Chemistry


California State University, Los Angeles
NeXTSTEP development environment and bundled software make all the difference

Reproduced with permission from NeXT Computer, Inc.
A Reference Guide to NeXT in Higher Education, Fall 1992
ยช 1992 NeXT Computer, Inc


Trina Valencich, a computational chemist and chemistry professor at California State University, Los Angeles, was accustomed to working in a 64-bit mainframe computing environment. So when CSULA opted to replace their mainframe with distributed workstations, Valencich had quite an adjustment to make.

"I wanted as much computing power I could get so I was accustomed to using machine language, FORTRAN and Basic," she says. "I knew very little about C or UNIX. I also had to learn to use a menu and windowing system."

Valencich was given a Sun and a NeXT computer. "I immediately became fascinated with the NeXT machine," she says. "It provided an outstanding alternative in terms of user friendliness and programmer friendliness."

She continues, "To me, Sun and NeXT are pretty comparable in terms of hardware, but NeXT is much better in terms of software. The Sun is not nearly as user friendly and it doesn't come with any bundled software."

Valencich uses the NeXT machine for a research project which involves computing trajectory calculations-the area of chemistry that deals with time-dependent events. Because most of her research work is done in FORTRAN, Valencich purchased the Absoft FORTRAN 77 compiler. She adds that "there are enormous amounts of public domain software for chemistry that are available in FORTRAN."

Valencich also uses NeXT technology in her upper-division physical chemistry course. "This is a mathematics-intensive course," she explains. "Before the NeXT came along, students could only solve simple pencil and paper equations unless they planned to learn how to program on a mainframe. With the NeXT, students can now get involved in helping with some of my research projects and in trying out more in-depth problems in the classroom. With the NeXT machine, we're able to elevate the level of science students are learning."

Using Interface Builder, Valencich has written Inertial View, an interactive instructional package that varies molecules in real time. The application gives students 53 options for changing the identity of atoms. Inertial View also allows students to call up the periodic table of elements to use the average mass, covalent radius, and electronegativity of these atoms. Students can also change the geometry and masses of molecules.

Also in the NeXTSTEP environment, Joe Bragin, associate dean of the College of Natural and Social Sciences, and Vicky Bragin, assistant professor of chemistry, have developed Ideal Gas, an interactive simulation that demonstrates the kinetic molecular theory of ideal gas. Molecular motion is illustrated with changing temperature and pressure so students can easily visualize what's happening at the molecular level."

Valencich points out that she also uses a number of the applications that come bundled with the NeXT machine, including Mathematica and Draw. "It's great that NeXT comes with bundled software. I feel like I've gone back to school since I got my NeXT."

For more information, please contact:

Trina Valencich
Associate Professor of Chemistry and Biochemistry
California State University, Los Angeles
5151 State University Drive
Los Angeles, CA 90032-8201
(213) 343-2368