Secretaria

5encontro@sbpmat.org.br

Fones/fax:
(48) 3234-7896 R.: 210 e
(48) 3331-9268 R.: 210

Horário de funcionamento: 8:00 - 12:00 h e 13:30 – 17:30 h
(Alexandre Dias ou Laura Bertuzzi)


 

Scientific Program

SYMPOSIUM N
COMPUTATIONAL SIMULATION AS A TECHNIQUE TO DESIGN NEW MATERIALS 

In the last few years the research on nanomaterials has emerged as a important field of computational chemistry and physics. The studies of materials, surfaces, catalysis and clusters have been widely used in electronics, optoelectronics and photonics by many researches. The simulation of materials has raised from improvements in theory, in algorithms, in strategy and also from the hardware performance/cost relation. It is now recognized that computational techniques have the potential to contribute to the design and improvement of high-technology materials with specific characteristics. Both electronic and structural properties can be studied by computational techniques, and the results have been used to predict new materials, formulate empirical theories and explain trends. Certainly, the feedback from experiment and further improvements in computational power has greatly influenced the formalism and refinements of the theory. As far as the development of new materials is concerned, the range of application of the computer modeling, which is expected to continue to expand, encompasses the design of electronic ceramics, rational design of new materials for controlled drug release applications, multifunctional materials, molecular materials and optical and magnetic devices, among others. Yet, computer techniques have also served as a means of generating powerful new catalysts, in which well-defined sites are precisely engineered. Computer modeling is also playing a pivotal role in the nanoscience and nanotechnology development. This symposium will bring together international experts in developing and applying computational techniques. In this sense, this Symposium is open to works on basic and applied research of simulation and design of materials.

Keywords: Crystals, semiconductors, nanomaterials, materials design, optical transitions, surfaces, thin films, cluster.

Session Topics:

  • Computational Methods in Solid State Chemistry;
  • Surface and Catalysis phenomena;

  • Adsorption process;
  • Electronic structure;
  • Nanomaterials.

Symposium Organizers:

Chair:

João Batista Lopes Martins
lopes@unb.br
Instituto de Química, UnB

Co-Chair:

Julio Ricardo Sambrano
sambrano@fc.unesp.br
Departamento de Matemática, Unesp – Bauru

Ricardo Longo
longo@ufpe.br
DQF, UFPE

Clederson Paduani
paduani@fisica.ufsc.br
Departamento de Física, UFSC

Fabrício Ronil Sensato
fabricio.sensato@fsa.br
CU Fundação Santo André

Scientific Committee

Armando Beltran ( Universitat Jaume I – Espanha)
Carlton Taft (DMF - CBPF)
Clederson Paduani (Departamento de Física, UFSC)
Emmanuelle Orhan (Université de Limoges – França)
Fabrício Ronil Sensato (CUFSA)
Marco Antonio Chaer Nascimento (IQ-UFRJ)
Nelson Morgon ( IQ – Unicamp)

Invites Speakers

Carlos Alberto Kuhnen (Depto de Fisica da UFSC - SC)
Carlton Taft (DMF - CBPF)
Helena Maria Petrilli (Instituto de Fisica - USP)
Juan Andres ( Universitat Jaume I, Espanha)
Marco Antonio Chaer Nascimento (IQ-UFRJ)

 

Papers from this Symposium and N will be published in a Special Issue of Journal of Materials Science

To be considered for this special issue, the Brazilian MRS paper number should precede the title of the paper on the manuscript. This number will be removed before publication.

The submission window for full manuscripts will be October 1 until November 30, 2006.

1) Go to www.editorialmanager.com/jmsc/
2) Follow Instructions for Authors
3) Be sure to select "Brazil MRS 2006" for your submission category

Journal of Materials Science Editors Grant Norton, Mark Aindow and Barry Carter will be present at the meeting to answer any questions.

All papers will be fully reviewed in the usual way. Symposia chairs will be sent a copy of each submitted paper

 

 


Copyright 2006
V Encontro da SBPMat - Sociedade Brasileira de Pesquisas em Materiais