This month, Materials 360 featured a discussion on our recent publication in J. Phys. Chem. Lett. on the computational design of organic solar cells.
The discussion can be found here.
Xinfeng runs the Pittsburgh Marathon
Congratulations to graduate student, Xinfeng Quan, who ran the Pittsburgh Marathon on May 12, 2013. He completed the race in 3 hours and 34 minutes, for an average of 8:11 minutes/mile.
Well done, Xinfeng!
Dr. Andrey Sharapov Defends
Many congratulations to Dr. Andrey Sharapov! Andrey defended his dissertation “Fast Treatment Of Pi-Stacking Using Density Functional Theory” in physics on April 8th. His dissertation involved the use of the Harris approximation in DFT for predicting pi stacking geometries in conjugated molecules, with a speed up of 10-20x over conventional methods. Congrats Andrey!
Efficient Computational Screening of Organic Polymer Photovoltaics
Piezoelectric Effects of Applied Electric Fields on Hydrogen-Bond Interactions: First-Principles Electronic Structure Investigation of Weak Electrostatic Interactions
Keith A. Werling, Geoffrey R Hutchison, and Daniel S Lambrecht. “Piezoelectric Effects of Applied Electric Fields on Hydrogen-Bond Interactions: First-Principles Electronic Structure Investigation of Weak Electrostatic Interactions” The Journal of Physical Chemistry Letters 2013 (Just Accepted Manuscript) Online. The supplemental info is available for download here: Werling SI.
Conjugated Sequenced Oligomers Paper Featured on Cover of Macromolecules
Our recent paper is currently featured on the cover of Macromolecules.
Macromolecules Cover Art
Ten Hundred Words
For Ten Hundred Words of Science: Explaining Complex Science in Plain English.
We make tiny things which make power from the sun and other tiny things which make power from moving. Both can help power the world.
We think hard about how matter really works and how tiny things can come together to make a whole. We try to understand how power moves through stuff. By asking how these tiny things work, and come together to form a whole, we can make them work better. So using what we learn, we make new things.
Part of our job is also to help other people to learn about these things, and how to ask and answer new questions.