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Title: Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional

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Publication Date:
Research Org.:
Northeastern Univ., Boston, MA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Center for Computational Design of Functional Layered Materials (CCDM); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
OSTI Identifier:
DOE Contract Number:  
FG02-07ER46352; AC02-05CH11231; SC0012575
Resource Type:
Journal Article
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 7; Related Information: CCDM partners with Temple University (lead); Brookhaven National Laboratory; Drexel University; Duke University; North Carolina State University; Northeastern University; Princeton University; Rice University; University of Pennsylvania; Journal ID: ISSN 2045-2322
Nature Publishing Group
Country of Publication:
United States
catalysis (heterogeneous), solar (photovoltaic), energy storage (including batteries and capacitors), hydrogen and fuel cells, defects, mechanical behavior, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Buda, I. G., Lane, C., Barbiellini, B., Ruzsinszky, A., Sun, J., and Bansil, A. Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional. United States: N. p., 2017. Web. doi:10.1038/srep44766.
Buda, I. G., Lane, C., Barbiellini, B., Ruzsinszky, A., Sun, J., & Bansil, A. Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional. United States. doi:10.1038/srep44766.
Buda, I. G., Lane, C., Barbiellini, B., Ruzsinszky, A., Sun, J., and Bansil, A. Thu . "Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional". United States. doi:10.1038/srep44766.
title = {Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional},
author = {Buda, I. G. and Lane, C. and Barbiellini, B. and Ruzsinszky, A. and Sun, J. and Bansil, A.},
abstractNote = {},
doi = {10.1038/srep44766},
journal = {Scientific Reports},
issn = {2045-2322},
number = ,
volume = 7,
place = {United States},
year = {2017},
month = {3}

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