How, when and why does a drug molecule stop working? How, when and why do a bunch of atoms dancing around randomly suddenly decide to arrange themselves in beautiful crystals? These questions have immense health, engineering, and societal ramifications. Answering them could lead to the next super-drug or super-material with targeted, cost-effective applications and minimal unwanted side-effects. However, they have a common underlying theme of rare events - that is, processes so slow that to study them on the best supercomputers would take almost the age of the universe. The Tiwary lab is interested in answering these and other seemingly diverse looking questions, and to do so we develop the next generation of computational tools. These tools are grounded in statistical physics and artificial intelligence and are made available to the broad scientific community in an open-source manner.
For further information about the Tiwary lab, please visit the website here.