Lebègue, S., Arnaud, B., Alouani, M. (2006) Molecular dynamics simulation and chemical bonding analysis of MgB2C2. Computational Materials Science, 37 (3). 220-225 doi:10.1016/j.commatsci.2005.06.015

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Reference Type	Journal (article/letter/editorial)
Title	Molecular dynamics simulation and chemical bonding analysis of MgB2C2
Journal	Computational Materials Science
Authors	Lebègue, S.		Author
	Arnaud, B.		Author
	Alouani, M.		Author
Year	2006 (September)	Volume	37
Issue	3
Publisher	Elsevier BV
DOI	doi:10.1016/j.commatsci.2005.06.015Search in ResearchGate
	Generate Citation Formats
Mindat Ref. ID	9504416	Long-form Identifier	mindat:1:5:9504416:5
GUID	0
Full Reference	Lebègue, S., Arnaud, B., Alouani, M. (2006) Molecular dynamics simulation and chemical bonding analysis of MgB2C2. Computational Materials Science, 37 (3). 220-225 doi:10.1016/j.commatsci.2005.06.015
Plain Text	Lebègue, S., Arnaud, B., Alouani, M. (2006) Molecular dynamics simulation and chemical bonding analysis of MgB2C2. Computational Materials Science, 37 (3). 220-225 doi:10.1016/j.commatsci.2005.06.015
In	(2006, September) Computational Materials Science Vol. 37 (3) Elsevier BV

	*Arnaud, B., Lebègue, S., Rabiller, P., Alouani, M. (2008) Arnaud, Lebègue, Rabiller, and Alouani Reply:. Physical Review Letters, 100 (18). doi:10.1103/physrevlett.100.189702*
	*Chaplot, S.L. (2006) Parallelization in classical molecular dynamics simulation and applications. Computational Materials Science, 37 (1). 146-151 doi:10.1016/j.commatsci.2005.12.013*
	*Arnaud, B., Lebègue, S., Rabiller, P., Alouani, M. (2006) Huge Excitonic Effects in Layered Hexagonal Boron Nitride. Physical Review Letters, 96 (2). doi:10.1103/physrevlett.96.026402*
	*Lebègue, S., Arnaud, B., Alouani, M. (2005) Calculated quasiparticle and optical properties of orthorhombic and cubicCa2Si. Physical Review B, 72 (8) doi:10.1103/physrevb.72.085103*
	Arnaud, B., Lebègue, S., Alouani, M. (2005) Excitonic and quasiparticle lifetime effects on silicon electron energy loss spectra from first principles. Physical Review B, 71 (3) doi:10.1103/physrevb.71.035308
	Aguado, Andrés, López, José M., Núñez, Sara (2006) Molecular dynamics simulation of the melting-like transition in K1Na54. Computational Materials Science, 35 (3). 174-178 doi:10.1016/j.commatsci.2004.10.011
	Lebègue, S, Arnaud, B, Rabiller, P, Alouani, M, Pickett, W. E (2005) Quasiparticle properties of the possible superconductor materials LiBC and NaBC. Europhysics Letters (EPL), 69. 311 doi:10.1209/epl/i2004-10396-9
	Lebègue, S, Araújo, C Moysés, Eriksson, O, Arnaud, B, Alouani, M, Ahuja, R (2007) Quasiparticle and optical properties of BeH2. Journal of Physics: Condensed Matter, 19 (3). 36223pp. doi:10.1088/0953-8984/19/3/036223
	Lebègue, S, Arnaud, B, Rabiller, P, Alouani, M, Pickett, W. E (2004) Quasiparticle properties of the possible superconductor materials LiBC and NaBC. Europhysics Letters (EPL), 68. 846-852 doi:10.1209/epl/i2004-10292-4
	Tran, Anh V., Wang, Yan (2017) Reliable Molecular Dynamics: Uncertainty quantification using interval analysis in molecular dynamics simulation. Computational Materials Science, 127. 141-160 doi:10.1016/j.commatsci.2016.10.021
	Fereidoon, Abdolhossein, Aleaghaee, Shahram, Taraghi, Iman (2015) Mechanical properties of hybrid graphene/TiO2 (rutile) nanocomposite: A molecular dynamics simulation. Computational Materials Science, 102. 220-227 doi:10.1016/j.commatsci.2015.02.044

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Lebègue, S., Arnaud, B., Alouani, M. (2006) Molecular dynamics simulation and chemical bonding analysis of MgB2C2. Computational Materials Science, 37 (3). 220-225 doi:10.1016/j.commatsci.2005.06.015

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