From psik-man-at-stfc.ac.uk Mon Oct 24 11:16:18 2011 Received: from engine29-1277-2.icritical.com (engine29-1277-2.icritical.com [212.57.248.116]) by physmail.rutgers.edu (8.13.8+Sun/8.13.8) with SMTP id p9OFGBIo018175 for ; Mon, 24 Oct 2011 11:16:18 -0400 (EDT) Received: (qmail 2355 invoked from network); 24 Oct 2011 15:16:00 -0000 Received: from localhost (127.0.0.1) by engine29-1277-2.icritical.com with SMTP; 24 Oct 2011 15:16:00 -0000 Received: from engine29-1277-2.icritical.com ([127.0.0.1]) by localhost (engine29-1277-2.icritical.com [127.0.0.1]) (amavisd-new, port 10024) with SMTP id 02052-05 for ; Mon, 24 Oct 2011 16:15:59 +0100 (BST) Received: (qmail 2125 invoked by uid 599); 24 Oct 2011 15:15:58 -0000 Received: from unknown (HELO EXCHHUB02.fed.cclrc.ac.uk) (193.62.124.100) by engine29-1277-2.icritical.com (qpsmtpd/0.28) with ESMTP; Mon, 24 Oct 2011 16:15:58 +0100 Received: from cselnx9 (193.62.112.177) by EXCHHUB02.fed.cclrc.ac.uk (193.62.124.107) with Microsoft SMTP Server id 14.1.289.1; Mon, 24 Oct 2011 16:15:59 +0100 Message-ID: <26992091.1319469095794.JavaMail.xyg-at-cselnx9> Date: Mon, 24 Oct 2011 16:11:35 +0100 MIME-Version: 1.0 Content-Transfer-Encoding: quoted-printable From: PSI-K To: PSI-K Content-Type: text/html Received-SPF: None (EXCHHUB02.fed.cclrc.ac.uk: psik-coord-at-dl.ac.uk does not designate permitted sender hosts) X-Virus-Scanned: by iCritical at engine29-1277-2.icritical.com X-Spam-Checked: Spamassassin version 3.1.8, by Rutgers Physics X-Spam-Score: 2.7, tests=HTML_MESSAGE,HTML_MIME_NO_HTML_TAG,MIME_HTML_ONLY X-Spam-Confidence: ** X-Scanned-By: MIMEDefang 2.64 on 128.6.228.213 Subject: ** [ PSI-K ] Postdoctoral position at IMPMC-UPMC (Paris) Status: RO X-Status: X-Keywords: X-UID: 1 An announcement has been added in the "PSI-K" site at PSI-K (http://cselnx9.dl.ac.uk:8080/portal)<= br />

Subject: Postdoctoral position at IMPMC-UPMC (Paris)

Category: Job

From: A. Marco Saitta

Date: 24-Oct-2011 16:11

Message:

Project: Crystal structure prediction of novel superhard compounds Details: The high-pressure (HP) chemistry of light elements is a challengin= g field, particularly in view of the synthesis of novel superhard materials= . Experiments aimed at such synthesis need to be guided by state-of-the-art= ab initio calculations. On the other hand, the general problem of crystal = structure prediction is traditionally regarded as one of the most complex p= roblems of physical sciences. The main difficulty is the incredibly large n= umber of possible structures for a given chemical composition. Recently, di= fferent algorithms of structure predictions based on ab initio calculations= have been proposed, among which the evolutionary algorithm USPEX from Ogan= ov group, the AIRSS method from Pickard group, and metadynamics from Parrin= ello group. A grant on the synthesis of superhard compounds of B-C-N-O-P elements has j= ust been funded by the French National Agency for Research (ANR). The proje= ct relies on both an experimental and a theoretical part, and a postdoctora= l position (12+ months) has been funded to conduct a search on the most int= eresting high-pressure/high-temperature structures of compounds belonging t= o the BCNOP family. Required skills: The candidate must be familiar with ab initio methods base= d on density functional theory, and particularly with structure prediction = approaches such as those mentioned above. A strong motivation to direct int= eraction with the experimental groups is also necessary. Our recent theoretical work on HP light elements & compounds: PRL 93, 22590= 1 (2004); PRL 94, 025506 (2005); PRL 96, 067801 (2006); Nature Materials 6,= 698 (2007); Nature Materials 8, 405 (2009); PRL 103, 185701 (2009); PRL 10= 6, 125701 (2011) Supervisor: A. Marco SAITTA =96 Professor Contact: marco.saitta-at-impmc.upmc.fr


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