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liushaking

铁杆木虫 (正式写手)

应助: 20 (小学生)
金币: 5283.4
帖子: 588
在线: 1160.8小时
虫号: 839616

[交流] 求小木虫里的各位大神推荐博后位置--第一性原理计算

明年夏天即将毕业，想出去做博后，我博士期间一直做得是第一性原理计算（VASP）研究材料的电子，磁学，光催化等性质。文章做得还算可以。目前联系了几个做得不错的老师，都说没位置，本来还挺自信的，现在有点挫败，求各位虫友介绍博后位置！！

！万分感谢啊

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1楼 2013-10-22 10:20:58

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

waehrend

至尊木虫 (知名作家)

★
小木虫: 金币+0.5, 给个红包，谢谢回帖

这个算是相关不？

Postdocoral position in Theoretical Chemistry, 3 years starting in Nov-Dec 2013.

Location: University of Nantes, Modeling & Spectroscopy (ModES) team
Lab: CEISAM, UMR CNRS 6230 University of Nantes (France)
http://www.sciences.univ-nantes.fr/CEISAM/
Financed by the Pays de la Loire Region (SAPOMAP, “Pari Scientifique” of the LumoMat RFI).

CONTEXT:

This Postdoc is part of the SAPOMAP project and deals with the ab initio simulations of the properties of macrocycles that can be used as alternatives to porphyrins, namely azacalixphyrins (see Angew. Chem. Int. Ed. 2013, 52, 6250 –6254). It is financed in majority by the Pays de la Loire Region in the category paris scientifiques régionaux ("regional bets"

within the framework of a larger project devoted to the study of light-molecule interactions. Porphyrins are the most developed and the most researched macrocycles and are used in almost all fields of sciences. Considering their fundamental importance and widespread applications, the study of new isostructural and isoelectronic analogs of porphyrins is of major interest. That is why the aim of the SAPOMAP project is to investigate the physical and chemical properties of molecules derived from the azacalixphyrins pattern and, more specifically, to optimize their optical spectroscopic signatures with theoretical tools. Azacalixphyrins are bi-zwitterionic macrocycles presenting both high stability and NIR absorption. In that framework, the Time-Dependent Density Functional Theory (TD-DFT) stands one of the most valuable approaches to simulate optical spectra and it will be combined with range-separated hybrid functionals so to correctly account for the presence of charge transfer states.

RESEARCH PROGRAM:

The post-doc will work in all five subtasks of the SAPOMAP project, the goals of these subtasks being:

* The rationalization of the exceptional air stability of azacalixphyrins;
* The study of the impact of substitution of the external groups by several electro active moieties;
* The understanding of the importance of complexation with metals, considering both the central and lateral positions;
* The computation of the optical signatures of macrocyles having five and six phenyl sub-units;
* The simulations of fused dimers and trimers.

To tackle these different aspects, computational chemistry tools will be used, and, in particular DFT and TD-DFT using both vertical and adiabatic schemes for the latter. The work will mainly consist in the application of these approaches to the azacalixphyrin case.

PROFILE:

The candidate should have obtained his/her PhD in theoretical chemistry or physics in a recognized group.
A strong background in DFT and TD-DFT is clearly an asset.
The candidate should be motivated, show initiative and an ability to work both independently and in a group.
Recognized communication skills are, of course, welcome.

Interested candidates should mail their CV, motivation letter and the names of at least two references to Denis.Jacquemin@univ-nantes.fr

The post-doc will be performed in close collaboration with Prof. Denis Jacquemin, the scientific coordinator of the project and Dr. Adèle Laurent, permanent researcher in CEISAM Laboratory. The SAPOMAP team is collaborating with the experimental team of Dr. Olivier Siri (CINaM Laboratory, UMR 7345, Marseille) that synthesizes azacalixphyrins.

ABOUT NANTES:

In 2004, Time described Nantes as “the most liveable city in Europe”. Recently, Nantes won an extra recognition of its quality living by receiving the prize of European Green Capital for 2013. Amongst the 12 selection criteria, the main strengths of Nantes are the “water”, “biodiversity”, “transport” and “climate”. In 2013, Nantes is proposing several events to celebrate this price as well as to promote sustainable development.

The city is located on the West of the France on the Loire River (at the confluence of the Erdre and the Sèvre Nantaise) and is only 50 km away from the Atlantic coast. Nantes possesses several historic monuments like the Castle of Dukes (heritage of its Breton history), the Graslin theatre, the Passage Pommeraye, the cathédrale Saint-Pierre-et-Saint-Paul.

The University of Nantes reaches his 50th’s birthday in 2012. The research and innovation activities are strongly developed in the region since several years, notably around several key clusters. The principal aim is to develop the competitiveness international in this economic sector. In 2010, Nantes was named a hub city for innovation.

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