Anubhav Jain

Chemist Staff Scientist/Engineer

Applied Energy Materials Group

Energy Storage & Distributed Resources Division

Lawrence Berkeley National Laboratory
1 Cyclotron Road, Berkeley, CA 94720 USA
Office Location: 062-0325

Anubhav Jain




Karin, Todd, and Anubhav Jain. "Photovoltaic String Sizing Using Site-Specific Modeling." IEEE Journal of Photovoltaics 10.3 (2020) 888 - 897.


Ganose, Alex, and Anubhav Jain. "Robocrystallographer: automated crystal structure text descriptions and analysisAbstract." MRS Communications 9.3 (2019) 874 - 881. Robocrystallographer, an open-source toolkit for analyzing crystal structures. This package combines new and existing open-source analysis tools to provide structural information, including the local coordination and polyhedral type, polyhedral connectivity, octahedral tilt angles, component-dimensionality, and molecule-within-crystal and fuzzy prototype identification. Using this information, robocrystallographer can generate text-based descriptions of crystal structures that resemble descriptions written by human crystallographers. The authors use robocrystallographer to investigate the dimensionalities of all compounds in the Materials Project database and highlight its potential in machine learning studies.
Yu, Peiyuan, Anubhav Jain, and Ravi S Prasher. "Enhanced Thermochemical Heat Capacity of Liquids: Molecular to Macroscale Modeling." Nanoscale and Microscale Thermophysical Engineering 23.3 (2019) 235 - 246.


Chu, Iek-heng, Sayan Roychowdhury, Daehui Han, Anubhav Jain, and Shyue Ping Ong. "Predicting the volumes of crystals." Computational Materials Science 146 (2018) 184 - 192.