NERSCPowering Scientific Discovery Since 1974

Shreyas Cholia

Shreyas Cholia
Deputy Group Leader
Data & Analytics Group
Phone: (510) 486-6552
Fax: (510) 486-4316
1 Cyclotron Road
Mail Stop 943-256
Berkeley, CA 94720

Biographical Sketch

Shreyas Cholia leads the science gateway, web and grid efforts at NERSC, with the goal of making high-performance and distributed computing more transparent and accessible. He is particularly interested in how web APIs and tools can facilitate data-centric computing, and is the lead developer of NEWT (a REST API and service for HPC). He has also been involved in various data related efforts at NERSC since 2002. Prior to his appointment at NERSC, Shreyas was a developer and consultant at IBM.  He graduated from Rice University, where he double majored in Computer Science and Cognitive Sciences.

Journal Articles

Oliver Rübel, Annette Greiner, Shreyas Cholia, Katherine Louie, E. Wes Bethel, Trent R. Northen, Benjamin P. Bowen, "OpenMSI: A High-Performance Web-Based Platform for Mass Spectrometry Imaging", Analytical Chemistry, 2013, 85 (21), pp 10354–10361, October 2, 2013, doi: 10.1021/ac402540a

Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, Kristin A. Persson, "The Materials Project: A materials genome approach to accelerating materials innovation", APL Mat. 1, 011002 (2013);, July 2013, doi: 10.1063/1.4812323

Shyue Ping Ong, William Davidson Richards, Anubhav Jain, Geoffroy Hautier, Michael Kocher, Shreyas Cholia, Dan Gunter, Vincent L. Chevrier, Kristin A. Persson, Gerbrand Ceder, "Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis", Computational Materials Science, Volume 68, February 2013, Pages 314-319, ISSN 0927-0256, 10.1016/j.commatsci.2012.10.028., February 1, 2013, doi:

M. Di Pierro, J. Hetrick, S. Cholia, D. Skinner, "Making QCD Lattice Data Accessible and Organized through Advanced Web Interfaces", Arxiv preprint arXiv:1112.2193, December 1, 2011, abs/1112,

Massimiliano Pala, Shreyas Cholia, Scott A Rea, Sean W Smith, "Extending PKI Interoperability in Computational Grids", 2008 Eighth IEEE International Symposium on Cluster Computing and the Grid CCGRID p. 645-650, IJGHPC 1(2): 45-55 (2009), May 30, 2008,

Shreyas Cholia, R. Jefferson Porter, "Publication and Protection of Sensitive Site Information in a Grid Infrastructure", 2008 Eighth IEEE International Symposium on Cluster Computing and the Grid (CCGRID) p. 639-644, IJGHPC 1(2): 56-73 (2009), May 30, 2008,

Conference Papers

Massimo Di Pierro, James Hetrick, Shreyas Cholia, James Simone, and Carleton DeTar., "The new “Gauge Connection” at NERSC", 21st International Lattice Data Grid Workshop, December 2013,

Dan Gunter, Shreyas Cholia, Anubhav Jain, Michael Kocher, Kristin Persson, Lavanya Ramakrishnan, Shyue Ping Ong, Gerbrand Ceder, "Community Accessible Datastore of High-Throughput Calculations: Experiences from the Materials Project", 5th IEEE Workshop on Many-Task Computing on Grids and Supercomputers (MTAGS) 2012, November 12, 2012,

Keith R. Jackson, Ramakrishnan, Muriki, Canon, Cholia, Shalf, J. Wasserman, Nicholas J. Wright, "Performance Analysis of High Performance Computing Applications on the Amazon Web Services Cloud", CloudCom, Bloomington, Indiana, January 1, 2010, 159-168,

Lavanya Ramakrishnan, R. Jackson, Canon, Cholia, John Shalf, "Defining future platform requirements for e-Science clouds", SoCC, New York, NY, USA, 2010, 101-106,

S. Cholia, D. Skinner, J. Boverhof, "NEWT: A RESTful service for building High Performance Computing web applications", Gateway Computing Environments Workshop (GCE), 2010, January 1, 2010, 1--11,

Shreyas Cholia, Hwa-Chun Wendy Lin, "Integrating Grid Services into the Cray XT4 Environment", Cray Users Group 2009, May 4, 2009,


Shreyas Cholia, NERSC, Web Portal Opportunities at NERSC, February 3, 2014,

Shreyas Cholia, NERSC, Data Transfer at NERSC, February 3, 2014,


Richard A. Gerber et al., "High Performance Computing Operational Review: Enabling Data-Driven Scientific Discovery at DOE HPC Facilities", November 7, 2014,

Fox W., Correa J., Cholia S., Skinner D., Ophus C., "NCEM Hub, A Science Gateway for Electron Microscopy in Materials Science", LBNL Tech Report on NCEMhub, May 1, 2014,

Electron microscopy (EM) instrumentation is making a detector-driven transition to Big Data. High capability cameras bring new resolving power but also an exponentially increasing demand for bandwidth and data analysis. In practical terms this means that users of advanced microscopes find it increasingly challenging to take data with them and instead need an integrated data processing pipeline. in 2013 NERSC and NCEM staff embarked on a pilot to prototype data services that provide such a pipeline. This tech report details the NCEM Hub pilot as it concluded in May 2014.