Fancynano "Frontier Applications of Theoretical Spectroscopy: Nanostructures and Complex Systems"

MEC y MICINN

Status: finished project
Contract Number:
FIS2007-65702-C02-01
Starting date 
1 October 2007
Ending date 
31 December 2010

Nano/bio science research is to address properties and phenomena that span multiple time and length scales and require multi-scale modelling, including the related topic of model validation, in order to compute the essential science. This understanding requires a hierarchy of complementary techniques and the development of new concepts and methods. The scientific aim of fancy-nano is to directly address specific problems related to the ab-initio modelling of the most widely used characterization tools based on spectroscopic techniques (such as optics, EELS, angle and time-resolved photo-emission, STM, etc) applied to complex materials as nanotubes, biomolecules, molecular and nano-electronics devices, quantum dots, etc. including environment and dissipation effects. This requires a focused effort to improve our present description of exchange-correlation effects and to develop computationally efficient models able to deliver quantitatively reliable results. To reach these goals we have set-up specific objectives both on fundamental theory developments as well as novel applications. By working together we reach the critical mass required to reach those objectives and to provide a high level transfer of knowledge, aimed at creating new professional skills for academia and industry.

Objectives

Within fancy-nano, we plan a series of ambitious research activities related to the development and application of Theoretical Condensed Matter techniques in problems of interest in the emerging fields of Nanoscience and Biophysics. The proposed topics are in the forefront of the field of ab-initio description of electron properties of real materials. They constitute a clear example of synergy between formal development and applicability, thus requiring comparison among theoretical approaches, advanced numerical simulations, and experimental results. In spite of the diversity of topics, all of them can be tackled under a coordinated effort thanks to their common methodological background. The present status of the field and the deep knowledge of the latest theoretical and methodological achievements (together with outstanding contributions) by the members of the proposing teams support the quality and pertinence of this project.

This project contains cutting-edge objectives at different levels. Hence, it is not possible to define a solely starting hypothesis. First, the theoretical objectives concern the most recent and relevant advances in the field of theoretical spectroscopy and the corresponding tools. The practical objectives, more specific and technologically-oriented, are motivated by their originality and also by the continuous appearance of new data. Therefore, there is a clear necessity for general explanation and analysis of new experiments and/or answers to specific questions raised by experimental groups. The proposing team maintains fluid contacts with some of the most prestigious experimental research teams, and has a very deep knowledge of the basic mechanisms that govern these new experimental realizations. This allows us to choose the optimal strategy for theoretical and ab-initio calculation-based analysis.

Related Research Areas