Scholarship
Having a very broad background, I consider myself to be a scientist firstly, a chemist secondly, and a type of chemist (Analytical) thirdly. I also have the customary specializations: research in my group is directed toward the quantitative analysis and understanding of a variety of instrumental techniques of modern chemical analysis and measurement, particularly ultrasensitive spectrometric techniques. My research group currently studies
Clearly, it would be difficult to pursue serious research efforts in such disparate directions, unless a way could be found to leverage one's capabilities and knowledge to higher levels. In this spirit of Virgil
"Aut inveniam viam aut faciam"
(I will find a way or make one)
I have devised a state-of-the-art, research level computer simulation system that enables me and my group to quantitatively model spectrometric techniques and instruments with unparalleled accuracy and verisimilitude. Some of the research results obtained with this software are described in references 36-38 and 42-52 in the listing of publications.
Much additional research work is unpublished as yet, but, in the fullness of time, at least some of it will be published, in refereed journals and at this web site. For further information, see Optical calculus modeling. The LightStone software is free, includes full, commented source code and can be downloaded at this site:
http://www.chem.umass.edu/~voigtman/LightStone/
Quid nunc
At the present time, an important focus of my research is the determination of optimum experimental realizations for a variety of important analytical spectrometric techniques. In pursuit of this goal, my group performs detailed theoretical analyses of the relevant signals and noises of the techniques under study and also performs quantitative behavioral modeling using the optical calculus-based, time evolution simulation software that I have pioneered. The simulation models we develop are useful for verification of existing experimental results, from our group and from the literature, and for prediction of the outcome of real ("physical") experiments that are, as yet, unperformed or even unperformable.
Quo vadis
Longer term, my research seeks to develop a comprehensive mathematical understanding of the analytic behavior of various noises, both white and non-white, in highly complex time-variant spectrometric systems. At present, modern spectrometric techniques cannot be analyzed rigorously (hence cannot be rigorously optimized) because their associated noise analyses are all but intractable analytically. With the aid of sophisticated simulation models developed in my research group, we are able to determine how such systems behave and use this understanding to refine our analytic (i.e., "mathematical") models.
Professing
During the Spring semester of 1988, I taught a course called Electronic Instrumentation for Scientists (CHEM 519). I used a variety of computer software teaching aids, of which the best was a program that enabled users to simulate the behavior of electronic sub-systems, e.g., integrators, function generators, oscilloscopes, etc. It was possible for students with little prior exposure to computers (some had no idea how to use a mouse!) to perform time evolution simulations to model the temporal behavior of moderately complex electronic systems and sub-systems. I realized that this method of behavioral modeling via rigorous time evolution methodology was highly useful for both teaching and research purposes, in no small part because each modeled electrical "component" looked pretty much like (more or less) the way such a component would be drawn in a block diagram schematic representation in a published paper or text book. The simulation models were interactive and produced results that were more than simple animated evaluations of equations.
However, the simulation program had some significant limitations, e.g., it was not possible for users to add program new component blocks. Fortunately, it was supplanted Extend, which is a far more powerful time evolution "engine" that allows users to custom program their own component blocks. Such blocks may then be used either in conjunction with blocks supplied with the commercial program or in place of the commercial blocks. Users have complete control over the programming of custom blocks: dialog boxes, icons, input and output variables, error messages,etc. The Extend program thus serves as an elegant interface/shell/buffer between users and the task of programming directly for complex operating systems/shells such as the Macintosh OS and Windows.
So, how does this figure into my teaching? The answer is that my optical calculus-based simulation software is actually comprised of a set of three Extend-based component libraries. At present, these three libraries contain more than 300 component blocks. It is this software that is the primary software utilized in my teaching of a variety of courses, including the following:
My software is also used, along with additional software by our authors, in Spectroanalytical Chemistry.
Naturally, using the software in teaching a number of courses leads to the development of many simulation models. At present, more than 100 fully annotated models are freely available at:
http://www.chem.umass.edu/~voigtman/LightStone/