Anubhav Jain

  • Program Years: 2008-2011
  • Academic Institution: Massachusetts Institute of Technology
  • Field of Study: Materials Science and Engineering
  • Academic Advisor: Gerbrand Ceder
  • Practicum(s):
    Lawrence Berkeley National Laboratory (2010)
  • Degree(s):
    Ph.D. Materials Science and Engineering, Massachusetts Institute of Technology, 2011
    B.S. Applied Engineering Physics, Cornell University, 2006

Current Status

  • Status: Research Scientist/Chemist, Lawrence Berkeley National Laboratory
  • Research Area: Materials Science & Engineering


Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput Ab Initio Calculations
Hautier G., Jain A., Ong S.P., Kang B.W., Moore C., Doe R., Ceder G, Chemistry of Materials (2011)

Accurate Formation Enthalpies by Mixing GGA and GGA+U calculations
Jain A., Hautier G., Ong S.P., Moore C., Fischer C.C., Persson K., Ceder G., Phys. Rev B (2011)

A High-Throughput Infrastructure for Density Functional Theory Calculations
Jain A., Hautier G., Moore C., Ong S.P., Fischer C.C., Persson K., Ceder G., Computational Materials Science (2011)

Recharging Lithium Battery Research with Ab Initio Methods
Ceder G., Hautier G., Jain, A., Ong S.P., MRS Bulletin (2011)

Synthesis and Electrochemical Properties of Monoclinic LiMnBO3 as a Li Intercalation Material
Kim J.C., Moore C.J., Kang B., Hautier G., Jain A., Ceder G.,
Journal of the Electrochemical Society (2011)

Data Mined Ionic Substitutions for the Discovery of New Compounds.
Hautier G., Fischer C., Ehrlacher V., Jain A., Ceder G., Inorganic Chemistry (2010)

Finding Nature's Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory
Hautier G., Fischer C.C., Jain A., Mueller T., Ceder G., Chemistry of Materials (2010)

Thermal Stabilities of Delithiated Olivine MPO4 (M=Fe,Mn) Cathodes Investigated using First Principles Calculations
Ong S.P., Jain A., Hautier G., Kang B., Ceder G., Electrochemistry Communications (2010)

Ab Initio Screening of Metal Sorbents for Elemental Mercury Capture in Syngas Streams
Jain A., Seyed-Reihani S.A., Fischer C.C., Couling D.J., Ceder G., Green W.H.,
Chemical Engineering Science (2010)

Are you Centered? An Automatic Crystal-Centering Method for High-Throughput Macromolecular Crystallography
Jain A., Stojanoff V., Journal of Synchrotron Radiation (2007)

A Modular Approach to Beam Line Automation: the NIGMS Facility at the NSLS
Allaire M., Berntson A., Jain A., Jakoncic J., Kao C.C., Siddons D.R., So I., Venkatagiriyappa V., Yin Z., Stojanoff V., Synchrotron News (2005)


DOE Early Career Award (2015)

NERSC Innovative use of HPC, Early Career (2013)

Alvarez Postdoctoral Fellowship (2011)