DOI: 10.1016/s0927-0256(03)00104-6. Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale

Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale

10.1016/s0927-0256(03)00104-6

Crossref journal-article

Elsevier BV

Computational Materials Science (78)

Bibliography

Kokalj, A. (2003). Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale. Computational Materials Science, 28(2), 155â168.

Authors 1

Anton Kokalj (first)

References 21 Referenced 1,703

{'key': '10.1016/S0927-0256(03)00104-6_BIB1', 'series-title': 'Molecular Modelling: Principles and Applications', 'author': 'Leach', 'year': '1996'} / Molecular Modelling: Principles and Applications by Leach (1996)
10.1016/S1093-3263(99)00028-5 / J. Mol. Graphics Modell. by Kokalj (1999)
A. Kokalj, M. Causà, XCrySDen: (X-window) CRYstalline Structures and DENsities, 2003. Available from: <http://www.xcrysden.org/>
V.R. Saunders, R. Doves, C. Roetti, M. Causá, N.M. Harrison, R. Orlando, C.M. Zicovich Wilson, Crystal98 1.0––user’s manual, University of Torino, Torino, 1999
{'key': '10.1016/S0927-0256(03)00104-6_BIB5', 'series-title': 'WIEN2k, an augmented plane wave+local orbitals program for calculating crystal properties', 'author': 'Blaha', 'year': '2001'} / WIEN2k, an augmented plane wave+local orbitals program for calculating crystal properties by Blaha (2001)
S. Baroni, A. Dal Corso, S. de Gironcoli, P. Giannozzi, PWSCF and PHONON: plane-wave pseudo-potential codes, 2001. Available from: <http://www.pwscf.org/>
10.1016/S0010-4655(97)00117-3 / Comput. Phys. Commun. by Bockstedte (1997)
A. Kokalj, GUIB: Graphical User Interface Builder. Available from: <http://www-k3.ijs.si/kokalj/guib/>
OpenGL––high performance 2d/3d graphics, The official WEB site of OpenGL is <http://www.opengl.org/>
B. Paul, The Mesa 3d graphics library, The official WEB site of Mesa is <http://www.mesa3d.org/>
B. Paul, B. Bederson, Togl––a Tk Open GL widget, The official WEB site of Togl is <http://togl.sourceforge.net/>
XYZ format was the native format of the XMOL program developed by the Network Computing Services, Inc. The XMOL program is not developed anymore
Brookhavens protein databank PDB format, The official WEB site of PDB is <http://www.rcsb.org/pdb/> 1999
M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian, Inc., Pittsburgh PA, 1995
10.1021/jp025823k / J. Phys. Chem. B by Kokalj (2002)
10.1016/S0039-6028(03)00452-7 / Surf. Sci. by Kokalj (2003)
T. Williams, C. Kelley, Gnuplot––an interactive plotting program, The official WEB site of Gnuplot is <http://www.gnuplot.info/>
10.1145/37402.37422 / Comput. Graphics by Lorensen (1987)
P. Bourke, Modelling, Accessible on WEB site: <http://astronomy.swin.edu.au/~pbourke/modelling/>
Information about [Incr Tcl] can be found on the Web site: <http://incrtcl.sourceforge.net/itcl/> while information about [Incr Tk] can be found on Web site: <http://incrtcl.sourceforge.net/itk/>
A. Kokalj, TkPWscf––a GUI for the PWscf, Available from: <http://www-k3.ijs.si/kokalj/tkpwscf/>

Dates

Type	When
Created	21 years, 11 months ago (Sept. 16, 2003, 5:31 p.m.)
Deposited	3 years, 1 month ago (July 4, 2022, 12:43 a.m.)
Indexed	1 day ago (Aug. 28, 2025, 8:23 a.m.)
Issued	21 years, 10 months ago (Oct. 1, 2003)
Published	21 years, 10 months ago (Oct. 1, 2003)
Published Print	21 years, 10 months ago (Oct. 1, 2003)

Funders 0

None

BibTeX

@article{Kokalj_2003, title={Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale}, volume={28}, ISSN={0927-0256}, url={http://dx.doi.org/10.1016/s0927-0256(03)00104-6}, DOI={10.1016/s0927-0256(03)00104-6}, number={2}, journal={Computational Materials Science}, publisher={Elsevier BV}, author={Kokalj, Anton}, year={2003}, month=oct, pages={155–168} }

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