We aim for intelligent materials design by means of quantum mechanical tools combined with semi-classical methods.
We are members of the Materials Theory Division within the Department of Physics and Astronomy at Uppsala University.
Our playground consists of numerical simulations carried out on high performance supercomputers. Often this is connected hand in hand with in-house code development and collaborations with experimentalists. This machinery allows us to intelligently engineer via computers the desired materials properties for different applications.
The typical workflow is first to identify the key characteristics of the already well-performing materials. In the second step, the gained knowledge regarding the underlying physical phenomena opens the way for adequate modification of materials properties.