Optional ZOOM LINK
Meeting ID: 961 8109 4666
Passcode: 005351

Materials are central to many technologies from energy storage and production to electronics as well as emerging fields such as quantum computing and communication. Traditionally, materials science and engineering has relied on trial and error and serendipity in a long and cumbersome process. The advent of first principles computations which solve the equations of quantum mechanics to predict materials properties has revolutionized the field and offered a path towards more targeted and computationally-driven materials design. 

I will outline our recent efforts in this field showing how first principles modeling can help designing better materials working hand-in-hand with experimentalists. A focus will be on the use of high-throughput computational techniques building database of materials properties. The talk will be divided in four topics that have been the focus of my research in Dartmouth:

1. electronic and phonon transport to design materials for electronics and thermoelectrics
2. defect design for photovoltaic and quantum information science applications
3. alloy and magnet design
4. materials for photocatalysis

I will end my talk discussing our efforts to disseminate data through the Materials Project and the future of the field including the growing importance of machine learning.