Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows

Author:

Mathew Kiran,Montoya Joseph H.,Faghaninia Alireza,Dwarakanath Shyam,Aykol Muratahan,Tang Hanmei,Chu Iek-heng,Smidt Tess,Bocklund Brandon,Horton Matthew,Dagdelen John,Wood Brandon,Liu Zi-Kui,Neaton Jeffrey,Ong Shyue Ping,Persson Kristin,Jain Anubhav

Funder

U.S. Department of Energy, Office of Basic Energy Sciences, Early Career Research Program (ECRP)

National Science Foundation (NSF)

Joint Center for Energy Storage Research (JCESR) project

Materials Project Center

U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division

Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy

U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division

NSF National Research Trainee Fellowship

U.S. Department of Energy, Office of Science, Basic Energy Sciences

NSF, SI2-SSI Program

Office of Science of the U.S. Department of Energy

NSF

Publisher

Elsevier BV

Subject

Computational Mathematics,General Physics and Astronomy,Mechanics of Materials,General Materials Science,General Chemistry,General Computer Science

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