[Todos] Postodoctoral position at laboratoire Francis Perrin (fwd)

[Horacio Grinberg]

Hola a todos:
 	Aqui reenvio un mensaje que puede ser de utilidad a los que deseen 
trabajar en dinamica de nanotubos de carbono.
Saludos,
Horacio Grinberg


---------- Forwarded message ----------
Date: Thu, 4 Feb 2010 13:37:49 +0000
From: Jean-Michel Mestdagh <jean-michel.mestdagh en CEA.FR>
To: MOLECULAR-DYNAMICS-NEWS en JISCMAIL.AC.UK
Subject: Postodoctoral position at laboratoire Francis Perrin

OPEN POSTDOCTORAL POSITION

Title:	Thermodynamics and dynamics of carbon/iron clusters: a theoretical
approach to modeling the growth of carbon nanotubes.

Location:	Laboratoire Francis Perrin (LFP) CEA-CNRS URA 2453
C2EA, IRAMIS, Service des Photons Atomes et Molécules, Bât 522
F91191 Gif/Yvette, France.
 			Web:		http://www-lfp.cea.fr/

Contact:	Reaction dynamics group
 			Christian Angelié
 			E-mail:	christian.angelie en cea.fr
 			Phone:	+33 1 69 08 28 55
 			Fax:		+33 1 69 08 87 07

Funding program, salary, duration:	C2EA is a French organization centered on
fundamental and applied research in alternative and nuclear energies. The
postdoctoral position is funded ASAP for 12 months by its national program
?Nano-simulation?. The salary will be that of a staff C2EA agent of
equivalent qualifications to that of the postdoctoral applicant.

The research group:	The ?Reaction Dynamics? group at LFP is specialized in
fundamental chemical physics, specifically to the detailed understanding of
the dynamics of chemical reactions when chemical bonds rearrange. It has
initiated a long term research project for simulating the growth of carbon
nanotubes on iron clusters, in line with the activity of the ?Nanometric
Structure? group at LFP.

Job description:	The project has two directions, which will be developed by
the prospective applicant in strong connection with two staff scientists of
C2EA (C. Angelié and J.-M. Soudan) and a PhD student (opened position).

The first direction is already under progress. It concerns the
thermodynamics of iron/carbon clusters. The original Metropolis algorithm
and the Wang-Landau method have been associated in a new Monte-Carlo scheme
to get state densities of which thermodynamic properties are deduced. This
will be applied to the fusion or vaporization of iron/carbon clusters with
low carbon content, which are confined either by a fixed wall or within an
elastic carbon nanotube. A medium level reactive potential (MEAM) is used
for this direction. The second direction of the project aims at simulating
the growth of carbon nanotubes on iron clusters by extensive molecular
dynamics calculations (simulated time&#61566;1 ns; &#61566;1000 atoms). Realistic high
level empirical potentials of the reactive type will be implemented for this
purpose by a combination of two potentials grounded on the Tight Binding method.

Key words:	Modeling, iron/carbon cluster, Monte-Carlo, molecular dynamics

Required qualifications:	 We are seeking a post-doc with documented skills
in molecular dynamics and Monte Carlo simulations. The applicant should be
used to work with and also to modify heavy computer codes. Knowledge of
reactive potentials and of the Tight Binding method is wished. The post-doc
will have the main responsibility of the project direction on nanotube growth.

Application procedure:	The application shall be written in English or French
and include the following items:
1.	A description of the qualification for the position
2.	Curriculum Vitae including a list of publications
3.	Two reference persons who can be contacted (describe the association with
them and give the contact addresses)

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