IACS Seminar Alan Aspuru Guzik 2015-03-13
From Natasha Baker
Many of the challenges of the twenty-first century are related to molecular processes such as the generation, transmission, and storage of clean energy, water purification and desalination. These transformations require a next generation of more efficient and ecologically-friendly materials. In the life sciences, we face similar challenges, for example drug-resistant bacterial strains require novel antibiotics. One of the paradigm shifts that the theoretical and experimental chemists needs to embrace is that of accelerated molecular discovery: The design cycles need to be sped up by the constant interaction of theoreticians and experimentalists, the use of high-throughput computational techniques, tools from machine learning and big data, and the development of public materials databases. I will describe three projects from my research group that aim to operate in this accelerated design cycle. First, I will describe our efforts on the Harvard Clean Energy Project, a search for materials for organic solar cells. I will continue by talking about our work on developing organic molecules for energy storage in flow batteries. Finally, I will describe our work towards the discovery of novel molecules for organic light-emitting diodes.