Anubhav Jain is a Staff Scientist/Chemist focusing on new materials discovery using high-throughput computations. He received his B.E. in Applied & Engineering Physics from Cornell University and his PhD from the Massachusetts Institute of Technology under the supervision of Gerbrand Ceder. He is a recipient of the DOE Computational Science Graduate Fellowship and the Luis W. Alvarez Postdoctoral Fellowship, a DOE Early Career Award, and a Berkeley Lab Director’s Award for Early Scientific Achievement.
At LBL, Anubhav works in new materials discovery and design using a mix of theory, computation, and data mining. He serves as the Associate Director and as a thrust lead for the Materials Project, a multi-institution effort to accelerate materials discovery by computing the properties of all known inorganic properties. This is achieved by automating first-principles calculations on a massive scale at DOE supercomputing centers. The Materials Project currently serves over 200,000 registered users from all over the world. Anubhav also serves as part of the central leadership team as well as the data core objective lead for the Durable Materials (DuraMat) consortium where he works on analyzing a wide array of solar photovoltaic data sets. Anubhav’s other research interests include using natural language processing to extract data from the scientific literature, new catalysts for oxyanion removal from water, new mechanisms for thermal energy storage, thermoelectric materials, and machine-learning representations of crystal structure and band structure.
Anubhav is the primary author of several software libraries including the FireWorks code for automating calculations at supercomputing centers, the atomate code for materials science simulation strategies, and the matminer code for materials data mining.
Further information can be found at his research group web site: https://hackingmaterials.lbl.gov