NERSCPowering Scientific Discovery Since 1974

Shreyas Cholia

Shreyas Cholia
Data & Analytics Group
Phone: (510) 486-6552
Fax: (510) 486-6362
1 Cyclotron Road
Mail Stop 50B2239
Berkeley, CA 94720

Biographical Sketch

Shreyas Cholia is a computational systems engineer working on technologies to enhance the scientific big-data capabilities at NERSC. He leads the web science gateway efforts at NERSC and is particularly interested in how web APIs and tools can facilitate data-centric computing. He is also is the lead developer of NEWT (a REST API and service for HPC).

Shreyas shares an appointment with the Data Science and Technology department in LBL's Computational Research Division. Prior to his appointment at NERSC, he was a developer and consultant at IBM.  He graduated from Rice University, where he double majored in Computer Science and Cognitive Sciences.

Journal Articles

Patrick Huck, Dan Gunter, Shreyas Cholia, Donald Winston, AT N'Diaye, Kristin Persson, "User applications driven by the community contribution framework MPContribs in the Materials Project", Concurrency and Computation: Practice and Experience, 2015,

Shyue Ping Ong, Shreyas Cholia, Anubhav Jain, Miriam Brafman, Dan Gunter, Gerbrand Ceder, Kristin A Persson, "The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles", Computational Materials Science, February 1, 2015, doi: 10.1016/j.commatsci.2014.10.037

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

Tina Declerck, Katie Antypas, Deborah Bard, Wahid Bhimji, Shane Canon, Shreyas Cholia, Helen (Yun) He, Douglas Jacobsen, Prabhat, Nicholas J. Wright, "Cori - A System to Support Data-Intensive Computing", Cray User Group Meeting 2016, London, England, May 2016,

Alice Koniges, Shreyas Cholia, Prabhat, Yushu Yao, "Data and Workflow Solutions for Fusion using NERSC", DOE FES/ASCR Workshop on Integrated Simulations for Magnetic Fusion Energy Sciences, June 2, 2015,

Shreyas Cholia, Terence Sun, "The NEWT platform: an extensible plugin framework for creating ReSTful HPC APIs", Gateway Computing Environments Workshop (GCE), 2014 9th, November 21, 2014, doi: 10.1109/GCE.2014.14

Ryan Chard, Saba Sehrish, Alex Rodriguez, Ravi Madduri, Thomas D Uram, Marc Paterno, Katrin Heitmann, Shreyas Cholia, Jim Kowalkowski, Salman Habib, "PDACS: a portal for data analysis services for cosmological simulations", Gateway Computing Environments Workshop (GCE), 2014 9th, November 21, 2014, doi: 10.1109/GCE.2014.7

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, January 1, 2010, 159-168,

Lavanya Ramakrishnan, R. Jackson, Canon, Cholia, John Shalf, "Defining future platform requirements for e-Science clouds", SoCC, 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,


Tina Declerck, Katie Antypas, Deborah Bard, Wahid Bhimji, Shane Canon, Shreyas Cholia, Helen (Yun) He, Douglas Jacobsen, Prabhat, Nicholas J. Wright, Cori - A System to Support Data-Intensive Computing, Cray User Group Meeting 2016, London, England, May 12, 2016,

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.

Web Articles

"BigNeuron", Prabhat, Kris Bouchard, Shreyas Cholia, Annette Greiner, NERSC Science Highlight, March 31, 2015,


Annette Greiner, Evan Racah, Shane Canon, Jialin Liu, Yunjie Liu, Debbie Bard, Lisa Gerhardt, Rollin Thomas, Shreyas Cholia, Jeff Porter, Wahid Bhimji, Quincey Koziol, Prabhat, "Data-Intensive Supercomputing for Science", Berkeley Institute for Data Science (BIDS) Data Science Faire, May 3, 2016,

Review of current DAS activities for a non-NERSC audience.

Prabhat, Kris Bouchard, Annette Greiner, Oliver Ruebel, Peter Denes, Alex Bujan, Sean Mackesey, Jesse Livezey, Jeff Teeters, Fritz Sommer, Eddie Chang, "Supporting Experimental Neuroscience @ NERSC", MSRI workshop on Neural Computation, October 7, 2015,