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Title: Automatic Prediction of Surface Phase Diagrams Using Ab Initio Grand Canonical Monte Carlo

Abstract

Not provided.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, United States
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of Pennsylvania, Philadelphia, PA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1543662
DOE Contract Number:  
SC0019281
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 123; Journal Issue: 4; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
Chemistry; Science & Technology - Other Topics; Materials Science

Citation Formats

Wexler, Robert B., Qiu, Tian, and Rappe, Andrew M. Automatic Prediction of Surface Phase Diagrams Using Ab Initio Grand Canonical Monte Carlo. United States: N. p., 2019. Web. doi:10.1021/acs.jpcc.8b11093.
Wexler, Robert B., Qiu, Tian, & Rappe, Andrew M. Automatic Prediction of Surface Phase Diagrams Using Ab Initio Grand Canonical Monte Carlo. United States. doi:10.1021/acs.jpcc.8b11093.
Wexler, Robert B., Qiu, Tian, and Rappe, Andrew M. Thu . "Automatic Prediction of Surface Phase Diagrams Using Ab Initio Grand Canonical Monte Carlo". United States. doi:10.1021/acs.jpcc.8b11093.
@article{osti_1543662,
title = {Automatic Prediction of Surface Phase Diagrams Using Ab Initio Grand Canonical Monte Carlo},
author = {Wexler, Robert B. and Qiu, Tian and Rappe, Andrew M.},
abstractNote = {Not provided.},
doi = {10.1021/acs.jpcc.8b11093},
journal = {Journal of Physical Chemistry. C},
issn = {1932-7447},
number = 4,
volume = 123,
place = {United States},
year = {2019},
month = {1}
}