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2014 CAP Congress / Congrès de l'ACP 2014

15–20 Jun 2014
Laurentian University / Université Laurentienne
America/Toronto timezone
Welcome to the 2014 CAP Congress! / Bienvenue au congrès de l'ACP 2014!

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Session

(R2-4) Computational Materials Mini-symposium II - DCMMP-DMBP / Mini-symposium sur les matériaux numériques II - DPMCM-DPMB

R2-4
19 Jun 2014, 13:45
Laurentian University / Université Laurentienne

Laurentian University / Université Laurentienne

Sudbury, Ontario

Conveners

(R2-4) Computational Materials Mini-symposium II - DCMMP-DMBP / Mini-symposium sur les matériaux numériques II - DPMCM-DPMB

  • Michel Côté (Université de Montréal)

Presentation materials

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  1. 44. Modeling the structure, optoelectronic properties and charge transport of organic semiconducting conjugated polymers with DFT
    Prof. Jolanta B. Lagowski (Memorial University of Newfoundland)
    19/06/2014, 13:45
    Condensed Matter and Materials Physics / Physique de la matière condensée et matériaux (DCMMP-DPMCM)
    Invited Speaker / Conférencier invité
    Conjugated organic polymers exhibit high electronic conductivity when doped and other optoectronic properties such as electroluminescence, electrochromism, and large non-linear optical responses. Many applications have been proposed for conjugated polymers and oligomers and some have already been commercially implemented. The most important applications involve the devices such as the organic...
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  2. 40. Tailoring the magnetic properties of paramagnetic molecules on metal substrates by adlayers and ligands
    Dr Heike Herper (Uppsala university, Dept. of Physics and Astronomy)
    19/06/2014, 14:15
    Condensed Matter and Materials Physics / Physique de la matière condensée et matériaux (DCMMP-DPMCM)
    Invited Speaker / Conférencier invité
    The ongoing miniaturization of magnetic and electronic devices requires the search for new materials to avoid the size limits of conventional technology. Hybrid systems consisting of paramagnetic molecules and metallic substrates are promising candidates. Especially porphyrin and phthalocyanine molecules with transition metal center have attracted interest because of their tunable magnetic...
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  3. 216. Effective Spin-1/2 Model in Frustrated Magnetic Rare-Earth Pyrochlore Insulators
    Prof. Michel Gingras (University of Waterloo)
    19/06/2014, 14:45
    Condensed Matter and Materials Physics / Physique de la matière condensée et matériaux (DCMMP-DPMCM)
    Invited Speaker / Conférencier invité
    Effective spin-1/2 degrees of freedom coupled by exchange-like interactions commonly arise in theoretical modeling of magnetic systems. A textbook example is the Mott-Hubbard model at half-filling which one can recast as a spin-1/2 model with exchange interactions supplemented by multiple-spin (ring-exchange) couplings. In this talk, I will discuss how in the past few years the description of...
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