Portrait of Anubhav Jain

Anubhav Jain

Electrochemical Technologies Group
Lawrence Berkeley National Laboratory
1 Cyclotron Road MS 62R0203
Berkeley CA 94720
Office Location: 62-0325
(510) 486-6894

Anubhav Jain is a Research 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.

At LBL, Anubhav's major projects are the Materials Project and the JCESR battery hub. The Materials Project is 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 4500 users from all over the world. Anubhav's role in the JCESR battery hub is similar: to uncover novel electrolytes for next-generation batteries using high-throughput computations to efficiently screen amongst thousands of candidates.

Anubhav is the primary author of the FireWorks code for automating calculations at supercomputing centers, and currently serves as an executive member of the NERSC Users Group.

Notable Seminars

  1. DFT and Materials Informatics: Finding the 'needle in the haystack'
    CAMD Summer School, August 2012, Lyngby, Denmark
  2. Is it possible to design safe, high-voltage cathodes? An investigation with high-throughput computing
    Electrochemical Society Spring Meeting, May 2012, Seattle, WA
  3. The Materials Project: A Public Materials Database and its Application to Lithium Ion Battery Cathode Design
    American Chemical Society Spring Meeting, March 2012, San Diego, CA
  4. High-Throughput Materials Design: DFT Calculations on All Reported Crystal Structures and Beyond
    Centre Européen de Calcul Atomique et Moléculaire (CECAM), May 2011, Lausanne, Switzerland

This publications database is an ongoing project, and not all Division publications are represented here yet.





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