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Soumis

  • Sebastien Hamel and Michel Cote, Quantum chemical study of the rotational transitions of H2 physisorbed over benzene , JCP, Soumis
  • Sebastien Hamel and Michel Cote, Ab initio study of the hindered rotation of H2 over benzene , Proceeding for MRS 2003 Fall Meeting Symposium BB, Soumis
  • Pierre Carrier, Zheng-Hong Lu, M.W. Chandre Dharma-wardana, Laurent J. Lewis, Core-level spectroscopy of Si/SiO_2 quantum wells: evidence for confined states , Phys. Rev. B, Soumis
  • Pierre Carrier, Zheng-Hong Lu, Laurent J. Lewis, M.W. Chandre Dharma-wardana, Role of Interface Suboxide Si Atoms on the Electronic Properties of Si/SiO2 Superlattices , Applied Surface Science, Soumis
  • Cristiano L. Dias, Laurent J. Lewis, S. Roorda, Point defects in models of amorphous silicon and their role in structural relaxation,Phys. Rev. Lett., Soumis
  • E.R. Hunt, P. M. Gade and N. Mousseau, Coupled diode resonators: a one-dimensional experimental model for glassy behavior, Phys. Rev. Let., Soumis
  • Gravel S., Thibault P., Integrability and linearizability of the Lotka-Volterra system with a saddle point with rational hyperbolicity ratio, J. Differential Equations, Soumis
  • N. Mousseau, Cooperative motion in Lennard-Jones binary mixtures below the glass transition , Phys. Rev. Lett., Soumis
  • P. Biswas, G. T. Barkema, N. Mousseau and W. F. van der Weg, Tight-binding Monte Carlo, Europhysics Letters, Soumis
  • V. Albe and L.J. Lewis, Optical properties of InAs/InP ultrathin quantum wells. , , Soumis
  • F. El Mellouhi, N. Mousseau et P. Ordejon, Sampling the diffusion paths of a neutral vacancy in Silicon with SIEST-A-RT , cond-mat/0308289, Soumis
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2003

  • Patrick Lorazo, Laurent J. Lewis and Michel Meunier, Short-Pulse Laser Ablation of Solids: From Phase Explosion to Fragmentation , Phys. Rev. Lett. 91, 225502, 2003
  • R. Meyer, L. J. Lewis, S. Prakash, and P. Entel, Vibrational properties of nanoscale materials: From nanoparticles to nanocrystalline materials , Phys. Rev. B 68, 104303, 2003
  • Michel Cote, Electronic Properties of Polymers: A Microscopic View,Physics in Canada, March/April, vol. 59 no. 2, p. 121, 2003
  • Jean-François Chabot, Michel Cote and Jean-François Brière, Ab initio study of electronic and structural properties of CsSnI3 perovskite , Proceedings of the High Performance Computing and Applications Symposium, Sherbrooke, 2003
  • Danny Perez and Laurent J. Lewis, Molecular-dynamics study of ablation of solids under femtosecond laser pulses , Proceedings of the High Performance Computing and Applications Symposium, Sherbrooke, 2003
  • Danny Perez and Laurent J. Lewis, Molecular-dynamics study of ablation of solids under femtosecond laser pulses , Phys. Rev. B 67 184102, 2003
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2002

  • Sebastien Hamel, Patrick Duffy, Mark E. Casida and Dennis R. Salahub, Kohn-Sham orbitals and orbital energies: fictitious constructs but good approximations all the same , Electron Spectroscopy and Related Phenomena 123, 345, 2002
  • Sebastien Hamel, Mark E. Casida and Dennis R. Salahub, Exchange-only optimized effective potential for molecules from resolution-of-the-identity techniques: Comparison with the local density approximation, with and without asymptotic correction , J. Chem. Phys. 116, 8276, 2002
  • M. Cote, P.D. Haynes and C. Molteni, Material design from first principles: the case of boron nitride polymers,J. Phys.: Condens. Matter 14 9997-10009, 2002
  • Danny Perez and Laurent J. Lewis, Ablation of solids under Femtosecond Laser Pulses , Phys. Rev. Lett. 89 255504, 2002
  • David Senechal, Danny Perez and Dany Plouffe, Cluster perturbation theory for Hubbard models , Phys. Rev. B 66 075129, 2002
  • Pierre Carrier, Laurent J. Lewis, M. W. Chandre Dharma-wardana, Optical properties of structurally-relaxed Si/SiO2 superlattices: the role of bonding at interfaces. , Physical Review B 65 165339, 2002
  • R. Meyer, S. Prakash, and P. Entel, Capillary Pressure and Phonons in Ag, Au, Cu, and Ni Nanoparticles, Phase Transitions 75, 51, 2002
  • R. Meyer and L. J. Lewis, Stacking-fault energies for Ag, Cu, and Ni from empirical tight-binding potentials, Phys. Rev. B 66, 052106, 2002
  • A. Goldoni, R. Larciprete, C. Cepek, C. Masciovecchio, F. El-Mellouhi, R. Hudej, M. Sancrotti and G. Paolucci, Tracking thermally driven molecular reaction and fragmentation by fast photoemission: C60 on Si(111) , Surface Review and Letters, Vol. 9, No. 2 775-781, 2002
  • F. El-Mellouhi, W. Sekkal and A. Zaoui, , Physica A 311, 130, 2002
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2001

  • Sebastien Hamel, Mark E. Casida and Dennis R. Salahub, Assessment of the quality of orbital energies in resolution-of-the-identity Hartree--Fock calculations using deMon auxiliary basis sets , J. Chem. Phys. 114, 7342, 2001
  • G. Brebec, Y. Limoge, N. Mousseau, Y. Loirat, and J.L. Bocquet, Diffusion in Lennard-Jones glasses: simulation studies of activations parameters for collective mechanisms , Edited by Y. Limoge, J. L. Bocquet and J. Bernardini, Trans-Tech Publication, Zurich, to be published, 2001
  • Alexis Lefèvre, Laurent J. Lewis, Ludvik Martinu, and Michael R. Wertheimer, Structural properties of silicon dioxide thin films densified by medium-energy particles , Phys. Rev. B 64, 115429, 2001
  • G. T. Barkema, N. Mousseau, R. L. C. Vink and P. Biswas, Basic mechanisms of structural relaxation and diffusion in amorphous silicon , invited review, Proceedings of the Materials Research Society, Spring Meeting, 2001
  • M. Cote, P. D. Haynes and C. Molteni, Boron nitride polymers: Building blocks for organic electronic devices,Phys. Rev. B 63 125207, 2001
  • N. Mousseau, G. T. Barkeman and S. Nakhmanson, Recent developments in the study of continuous random networks , invited review, Phil. Mag. B, 2001
  • P. Carrier, L.J. Lewis, M.W. Chandre Dharma-wardana, Electronic and Optical Properties of Si/SiO2 Superlattices from First Principles: Role of Interfaces,Contribution to the MRS Spring Meeting, San Francisco CA, April, 2001
  • P. Lorazo, L. J. Lewis, M. Meunier, Simulation of picosecond pulsed laser ablation of silicon: the molecular-dynamics thermal-annealing model , Proceedings of SPIE, 2001
  • P.M. Derlet, R. Meyer, L.J. Lewis, U. Stuhr, and H. Van Swygenhoven, Low-Frequency Vibrational Properties of Nanocrystalline Materials , Phys. Rev. Lett. 87, 205501, 2001
  • Pierre Carrier, Laurent J. Lewis, and M. W. C. Dharma-wardana, Electron confinement and optical enhancement in Si/SiO2 superlattices,Phys. Rev. B 64, 195330-1, 2001
  • R. L. C. Vink, G. T. Barkema, W. F. van der Weg and N. Mousseau, A semi-empirical potential for amorphous silicon , J. Non-Cryst. Sol. 282, 248-255, 2001
  • R. Meyer and L.J. Lewis, Molecular-Dynamics Simulations of Magnetic Structures in Metallic Systems , "Advances in Materials Theory and Modeling -- Bridging Over Multiple Length- and Time Scales", eds. V. Bulatov, F. Cleri, L. Colombo, L. Lewis, and N. Mousseau, MRS Proceedings Volume 677, Materials Research Society, Warrendale PA, 2001
  • R. Meyer, Vibrational Properties of Silver Nanoparticles and Nanocrystalline Materials , in "Structure and Mechanical Properties of Nanophase Materials -- Theory and Computer Simulations vs. Experiment", eds. D. Farkas, H. Kung, M. Mayo, H. Van Swygenhoven, and J. Weertman, MRS Proceedings Volume 634, Materials Research Society, Warrendale PA, 2001
  • S. Nakhmanson, N. Mousseau and G. T. Barkema, Low strain models of paracrystalline silicon , Int. J. Modern Physics B, to be published, 2001
  • S. Nakhmanson, P. M. Voyles, N. Mousseau, G. T. Barkema and D. A. Drabold, Realistic models of paracrystalline silicon, Physical Review B 63, 235207, 2001
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2000

  • D. Sénéchal, D. Perez et M. Pioro-Ladrière, The spectral weight of the Hubbard model through cluster perturbation theory , Phys. Rev. Lett. 84 p.522-525, 2000
  • G. T. Barkema and N. Mousseau, High-quality continuous random networks, Phys. Rev. B 62, 4985-4990, 2000
  • G. T. Barkema and N. Mousseau, The activation-relaxation technique: an efficient algorithm for sampling energy landscapes , Comp. Mat. Sci. 20, 285-292, 2000
  • L.J. Lewis, P. Jensen, N. Combe, and J.L. Barrat, Diffusion of gold nanoclusters on graphite,Phys. Rev. B, 2000
  • M. Durandurdu, D. A. Drabold and N. Mousseau, Approximate ab initio calculations of electronic structure of amorphous silicon , Phys. Rev. B 62, 15307, 2000
  • N. Mousseau and D. A. Drabold, Numerical studies of the vibrational isocoordinate rule in chalcogenide glasses , Eur. Phys. Jour. B 17, 667-671, 2000
  • N. Mousseau and G. T. Barkema, Activated mechanisms in amorphous silicon: an activation-relaxation-technique study, Phys. Rev. B 61, 1898-1906, 2000
  • N. Mousseau, G.T. Barkema and S.W. de Leeuw, Elementary mechanisms governing the dynamics of silica , Chem. Phys. 112, 960-964, 2000
  • N. Mousseau, P. Derreumaux, G. T. Barkema and R. Malek, Sampling activated mechanisms in proteins with the activation-relaxation technique , . Mol. Graph. and Modelling, to be published, 2000
  • P. D. Haynes and M. Cote, Parallel fast Fourier transform for electronic structure calculations,Computer Physics Communications 130 (1-2) 130-6, 2000
  • P. Lorazo, L. J. Lewis, and M. Meunier, Picosecond pulsed laser ablation of silicon: a molecular-dynamics study , Appl. Surf. Sci. 168, 276, 2000
  • P. Lorazo, L.J. Lewis, and M. Meunier, Molecular-dynamics simulations of picosecond pulsed laser ablation and desorption of silicon , SPIE, vol.3935, "Laser plasma generation and diagnostics", ed. par R.F. Haglund Jr. and R.F. Wood, p.66, 2000
  • R. Malek and N. Mousseau, Dynamics of Lennard-Jones clusters: A characterization of the activation-relaxation technique, Phys. Rev. E 62, 7723-7728, 2000
  • S. Bédard and L.J. Lewis, Diffusion of hydrogen in crystalline silicon,Phys. Rev. B 61, 9895, 2000
  • Y. Song, R. Malek and N. Mousseau, ptimal activation and diffusion paths of perfect events in amorphous silicon, Phys. Rev. B 62, 15680-15685, 2000
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1999

  • B. Szpunar, L.J. Lewis, I. Swainson, and U. Erb, Thermal expansion and hydrogen diffusion in nanocrystalline nickel , Phys. Rev. B 60, 10107, 1999
  • G. Boisvert and L.J. Lewis, Diffusion of Pt dimers on Pt(111),Phys. Rev. B 59, 9846, 1999
  • G. T. Barkema and N. Mousseau, Exploring structural mechanisms in disordered materials using the activation-relaxation technique , Invited paper, 8th Workshop on Computational Materials Science, Italy Computational Physics Communications 122, 1999
  • J. C. Grossman, A. Mizel, M. Cote, M. L. Cohen and S. G. Louie, Transition Metals and Their Carbides and Nitrides: Trends in Electronic and Structural Properties,Phys. Rev. B. 60(9), 6343, 1999
  • L.J. Lewis and M.W.C. Dharma-wardana, Theory of the sulphur-passivated InP(001) surface , in Compound semiconductor surface passivation and novel device processing, invited paper, ed. by H.Hasegawa, M. Hong, Z.H. Lu and S.J. Pearton, MRS Symp. Proc. no. 573, p. 3-14, 1999
  • N. Mousseau and G. T. Barkema, Exploring high-dimensional energy landscapes , invited review, Computers in Science and Engineering 1 74-82, 1999
  • N. Zotov, M. Marinov, N. Mousseau and G.T. Barkema, Dependence of the vibrational spectra of amorphous silicon on the defect concentration and ring distribution , J. Phys. C: Cond. Matt. 48 9647-9658, 1999
  • P. G. Collins, J. C. Grossman, M. Cote, M. Ishigami, C. Piskoti, S. G. Louie, M. L. Cohen and A. Zettl, Scanning Tunneling Spectroscopy of C36,Phys. Rev. Lett. 82(1), 165, 1999
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1998

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1997

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1996

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1995

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1994

  • B. Szpunar, U. Erb, L.J. Lewis, K.T. Aust, and G. Palumbo, The influence of grain-boundary structural disorder on the magnetic properties of nanocrystalline nickel , in Interface control of electrical, chemical, and mechanical properties, ed. by S.P. Murarka, T. Ohmi, K. Rose and T. Seidel, MRS Symp. Proc. no. 318, p. 477-482, 1994
  • D. A. Preece, P. W. Brading, C. W. H. Lam, and M. Cote, Balanced 6X6 Designs for 4 Equally Replicated Treatments , Discrete Mathematics 125, 319--327, 1994
  • G. Boisvert and L.J. Lewis, Diffusion of Au on the reconstructed Au(111) surface,in Physics Computing 94, edited by R. Gruber and M. Tomassini, European Physical Society, Geneva, 1994
  • G. Boisvert and L.J. Lewis, Single-atom diffusion on silver and gold surfaces in Mechanisms of Thin-Film Evolution,edited by S.M. Yalisove, C.V. Thompson, and D.J. Eaglesham, Materials Research Society Proceedings 317, (MRS, Pittsburgh, 1994) p.71., 1994
  • J.-M. Jin and L.J. Lewis, Ge dimer relaxation on Si(100) , Phys. Rev. B 49, 2201-2204, 1994
  • J.-M. Jin and L.J. Lewis, Lattice strain from valence-band holes in a SiGa alloy , Solid State Commun. 90, 253-256, 1994
  • L.J. Lewis and G. Wahnström, Molecular-dynamics study of supercooled ortho-terphenyl , Phys. Rev. E 50, 3865-3877, 1994
  • L.J. Lewis and G. Wahnström, Rotational dynamics in ortho-terphenyl: a microscopic view , in Proc. of the 2nd Int. Discussion Meeting on Relaxation in Complex Systems (Alicante, 1993), J. Non-Cryst. Solids 171-174, 69-76, 1994
  • L.J. Lewis, Thermal relaxation of Ag(111) , Phys. Rev. B 50, 17693-17696, 1994
  • M Cote and R. L. Hall, Energy bounds for the generalized exponential-cosine screened Coulomb potential , Canadian Journal of Physics 72, 233, 1994
  • S. Sen, N. Mousseau and G. Overney, Onset of avalanches in granular media, Phys. Rev. E 49, 4712-15, 1994
  • Y. Beaudet, L.J. Lewis, and M. Persson, Surface anharmonicities and disordering on Ni(100) and Ni(110) , Phys. Rev. B 50, 12084-12103, 1994
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1993

  • E. Aubin and L.J. Lewis, Growth of metallic superlattices by sequential deposition of atoms , Phys. Rev. B 47, 6780-6783, 1993
  • G. Wahnström and L.J. Lewis, Molecular-dynamics simulation of a molecular glass at intermediate times , in Dynamics of disordered materials II (Grenoble, 1993), Physica A 201, 150-156, 1993
  • J.-M. Jin, L.J. Lewis, V. Milman, I. Stich, and M.C. Payne, Point-defect-induced crystal growth: an ab-initio study , Phys. Rev. B (Rapid Comm.) 48, 11465-11468, 1993
  • L.J. Lewis and G. Wahnström, Relaxation of a molecular glass at intermediate times , Solid State Commun. 86, 295-299, 1993
  • N. Mousseau and M.F. Thorpe, Size-mismatch melting in two dimensions , in Chemical Physics of Intercalation II, NATO proceedings, P. Bernier editor, Plenum Press,193-196, 1993
  • N. Mousseau and M.F. Thorpe, Structural model for crystalline and amorphous silicon-germanium alloys, Phys. Rev. B 48,5172-5178, 1993
  • R. Lutz and L.J. Lewis, Stability and relaxation of point defects in amorphous silicon , in Beam-solid interactions, ed. by M.A. Nastasi, N. Herbots, L.R. Harriott, and R.S. Averback, MRS Symp. Proc. no. 279, p. 189-194, 1993
  • R. Lutz and L.J. Lewis, Stability of vacancies in amorphous silicon , Phys. Rev. B 47, 9896-9899, 1993
  • Y. Beaudet, L.J. Lewis, and M. Persson, Anharmonic effects at the (100) and (110) surfaces of Ni , in Materials theory and modelling, ed. by P.D. Bristowe, J. Broughton, and J.M. Newsam, MRS Symp. Proc. no. 291, p. 525-530, 1993
  • Y. Beaudet, L.J. Lewis, and M. Persson, Anharmonic effects at the Ni(100) Surface , Phys. Rev. B (Rapid Comm.) 47, 4127-4130, 1993
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1992

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1991

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1990

  • A.F.J. Moffat, L. Drissen, C. Robert, R. Lamontagne, R. Coziol, N. Mousseau, V.S. Niemela, M.A. Cerruti, W. Seggewiss and N. van Weeren, Photometric and polarimetric variability and mass-loss rate of the massive binary Wolf-Rayet star HDE 311884 (WN6+O5:V) , Astrophys. Journal 350, 767-775, 1990
  • N. Mousseau and L.J Lewis, Computer models for amorphous silicon hydrides, Phys. Rev. B 41,3702-3707, 1990
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1989

  • L.J. Lewis, N. Mousseau and F. Drolet, Computer-generated structural models for a-Si:H , Mat. Res. Soc. Symp. Proc. 141 71-76, 1989
  • N. Mousseau and L.J. Lewis, Computer-simulated model structures for hydrogenated amorphous semiconductors , Jour. of Non-Cryst. Solids 114,202-204, 1989
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