The General Utility Lattice Program (GULP)
Publication type: Journal Article
Publication date: 2003-05-01
scimago Q3
wos Q3
SJR: 0.374
CiteScore: 4.2
Impact factor: 2.0
ISSN: 08927022, 10290435
General Chemistry
General Chemical Engineering
Condensed Matter Physics
General Materials Science
Information Systems
Modeling and Simulation
Abstract
The General Utility Lattice Program (GULP) has been extended to include the ability to simulate polymers and surfaces, as well as adding many other new features, and the current status of the program is fully documented. Both the background theory is described, as well as providing a concise review of some of the previous applications in order to demonstrate the range of its use. Examples are presented of work performed using the new compatibilities of the software, including the calculation of Born effective charges, mechanical properties as a function of applied pressure, calculation of frequency-dependent dielectric data, surface reconstructions of calcite and the performance of a linear-scaling algorithm for bond-order potentials.
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Gale J. D., Rohl A. L. The General Utility Lattice Program (GULP) // Molecular Simulation. 2003. Vol. 29. No. 5. pp. 291-341.
GOST all authors (up to 50)
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Gale J. D., Rohl A. L. The General Utility Lattice Program (GULP) // Molecular Simulation. 2003. Vol. 29. No. 5. pp. 291-341.
Cite this
RIS
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TY - JOUR
DO - 10.1080/0892702031000104887
UR - https://doi.org/10.1080/0892702031000104887
TI - The General Utility Lattice Program (GULP)
T2 - Molecular Simulation
AU - Gale, Julian D.
AU - Rohl, Andrew L.
PY - 2003
DA - 2003/05/01
PB - Taylor & Francis
SP - 291-341
IS - 5
VL - 29
SN - 0892-7022
SN - 1029-0435
ER -
Cite this
BibTex (up to 50 authors)
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@article{2003_Gale,
author = {Julian D. Gale and Andrew L. Rohl},
title = {The General Utility Lattice Program (GULP)},
journal = {Molecular Simulation},
year = {2003},
volume = {29},
publisher = {Taylor & Francis},
month = {may},
url = {https://doi.org/10.1080/0892702031000104887},
number = {5},
pages = {291--341},
doi = {10.1080/0892702031000104887}
}
Cite this
MLA
Copy
Gale, Julian D., and Andrew L. Rohl. “The General Utility Lattice Program (GULP).” Molecular Simulation, vol. 29, no. 5, May. 2003, pp. 291-341. https://doi.org/10.1080/0892702031000104887.