Improving computer memory, solar cells goal of UH chemist

To solve this puzzle of electrical phenomena in amorphous materials, Lubchenko will rely heavily on what he calls "old-fashioned" math because the molecular events underlying the formation of these materials are so rare they would take too many computer cycles to simulate even on the most powerful present-day computer. For example, these rare events are responsible for the sluggishness of melted glass that gives glassblowers enough time to work their melts into various shapes. Conversely, such events are not necessary for water to flow, which is why water doesn't hold its shape.

"To adequately simulate a molecular system on a computer we, in a sense, need to produce an action movie with snapshots frequent enough to capture individual molecular vibrations – at least two snapshots per full vibration," Lubchenko said. "To make a comparison, a regular movie with sufficiently many snapshots to reliably detect one of those rare events would take as long as a century to watch in a movie theater. Imagine how long it would take to make that movie."

'Paper and pencil' calculations offer a way out of this impasse, Lubchenko explains, because it is always possible to convey the plot of any movie – no matter how long – in just a few sentences, upon identifying the key characters and sources of tension. Analogously, a scientist uses his imagination to find a reduced description that uses a small number of parameters and laws of interaction. A theoretician can encode these laws in the form of equations and use his mathematical skills to find arbitrarily long-term solutions of these equations thus capturing even the rarest events.

As a theoretical physical chemist, Lubchenko does not spend much time in a lab. Instead, he takes the raw data from researchers in a lab and crunches formulas and numbers so that he can explain existing measurements and predict what will occur in future experiments and other systems.

Providing support in his efforts to tackle these mysteries, Lubchenko was recently awarded the coveted Beckman Young Investigator Award that carries with it a three-year, $300,000 grant. The award money will allow him to hire a postdoctoral researcher and two graduate students to assist him with his work.

"We are very proud to have Vas as a colleague," said David Hoffman, professor and chair of the chemistry department in the College of Natural Sciences and Mathematics at UH. "His award is an indication that our faculty competes very well for national awards and recognition."