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Title: Charge optimized many-body potential for aluminum

Authors:
; ; ; ; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Atomic-Level Catalyst Design (CALCD)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1369699
DOE Contract Number:  
SC0001058
Resource Type:
Journal Article
Journal Name:
Journal of Physics. Condensed Matter
Additional Journal Information:
Journal Volume: 27; Journal Issue: 1; Related Information: CALCD partners with Louisiana State University (lead); Clemson University; University of Florida; Georgia Institute of Technology; Grambling State University; Oak Ridge National Laboratory; Ohio State University; Pennsylvania State; Texas A&M University; Vienna University of Technology, Austria; University of Utrecht, Netherlands; Journal ID: ISSN 0953-8984
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English

Citation Formats

Choudhary, Kamal, Liang, Tao, Chernatynskiy, Aleksandr, Lu, Zizhe, Goyal, Anuj, Phillpot, Simon R., and Sinnott, Susan B. Charge optimized many-body potential for aluminum. United States: N. p., 2014. Web. doi:10.1088/0953-8984/27/1/015003.
Choudhary, Kamal, Liang, Tao, Chernatynskiy, Aleksandr, Lu, Zizhe, Goyal, Anuj, Phillpot, Simon R., & Sinnott, Susan B. Charge optimized many-body potential for aluminum. United States. doi:10.1088/0953-8984/27/1/015003.
Choudhary, Kamal, Liang, Tao, Chernatynskiy, Aleksandr, Lu, Zizhe, Goyal, Anuj, Phillpot, Simon R., and Sinnott, Susan B. Wed . "Charge optimized many-body potential for aluminum". United States. doi:10.1088/0953-8984/27/1/015003.
@article{osti_1369699,
title = {Charge optimized many-body potential for aluminum},
author = {Choudhary, Kamal and Liang, Tao and Chernatynskiy, Aleksandr and Lu, Zizhe and Goyal, Anuj and Phillpot, Simon R. and Sinnott, Susan B.},
abstractNote = {},
doi = {10.1088/0953-8984/27/1/015003},
journal = {Journal of Physics. Condensed Matter},
issn = {0953-8984},
number = 1,
volume = 27,
place = {United States},
year = {2014},
month = {11}
}

Works referenced in this record:

Ab initiomolecular dynamics for liquid metals
journal, January 1993


Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994


Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996