From psik-network-owner-at-dl.ac.uk Fri Feb 16 07:46:54 2007 Received: from mserv6.dl.ac.uk (mserv6.dl.ac.uk [148.79.80.137]) by physmail.rutgers.edu (8.13.6/8.13.6) with ESMTP id l1GCkbQ1010226; Fri, 16 Feb 2007 07:46:41 -0500 (EST) Received: from dlmail2.dl.ac.uk (dlmail2.dl.ac.uk [148.79.163.114]) by mserv6.dl.ac.uk (8.12.10/8.12.8/[ref postmaster-at-dl.ac.uk]) with ESMTP id l1GCiV4K028071; Fri, 16 Feb 2007 12:44:33 GMT Received: from dlmail2.dl.ac.uk (localhost.localdomain [127.0.0.1]) by dlmail2.dl.ac.uk (8.12.11.20060308/8.12.11) with ESMTP id l1GCiVKo031089; Fri, 16 Feb 2007 12:44:31 GMT Received: from localhost (mail-at-localhost) by dlmail2.dl.ac.uk (8.12.11.20060308/8.12.11/Submit) with SMTP id l1GCiSnF031084; Fri, 16 Feb 2007 12:44:28 GMT X-Authentication-Warning: dlmail2.dl.ac.uk: mail owned process doing -bs Received: by dlmail2.dl.ac.uk (bulk_mailer v1.13); Fri, 16 Feb 2007 12:40:48 +0000 Received: from dlmail2.dl.ac.uk (localhost.localdomain [127.0.0.1]) by dlmail2.dl.ac.uk (8.12.11.20060308/8.12.11) with ESMTP id l1GCem3P030768; Fri, 16 Feb 2007 12:40:48 GMT Received: (from majord-at-localhost) by dlmail2.dl.ac.uk (8.12.11.20060308/8.12.11/Submit) id l1GCemV4030766; Fri, 16 Feb 2007 12:40:48 GMT X-Authentication-Warning: dlmail2.dl.ac.uk: majord set sender to owner-psik-network-at-dlmail2.dl.ac.uk using -f Received: from mserv6.dl.ac.uk (mserv6.dl.ac.uk [148.79.80.137]) by dlmail2.dl.ac.uk (8.12.11.20060308/8.12.11) with ESMTP id l1GCblt1030626 for ; Fri, 16 Feb 2007 12:37:47 GMT X-DL-MFrom: X-DL-Connect: Received: from exchange16.dl.ac.uk (exchange16.dl.ac.uk [148.79.163.190]) by mserv6.dl.ac.uk (8.12.10/8.12.8/[ref postmaster-at-dl.ac.uk]) with ESMTP id l1GCbi4K027542 for ; Fri, 16 Feb 2007 12:37:44 GMT Received: from exchange06.dl.ac.uk ([148.79.163.163]) by exchange16.dl.ac.uk with Microsoft SMTPSVC(6.0.3790.1830); Fri, 16 Feb 2007 12:37:44 +0000 X-MimeOLE: Produced By Microsoft MimeOLE V6.00.3790.2826 Content-Class: urn:content-classes:message Content-Transfer-Encoding: 7bit MIME-Version: 1.0 Content-Type: multipart/mixed; boundary="----_=_NextPart_001_01C751C7.417DB600" Subject: FW: Two post-doc positions Importance: normal Date: Fri, 16 Feb 2007 12:37:43 -0000 Message-ID: X-MS-Has-Attach: yes X-MS-TNEF-Correlator: Thread-Topic: Two post-doc positions thread-index: AcdRvXCqyGGunMNvQhmmEcdVrZCCZwACZ/JA From: "PSIK-coord" To: X-OriginalArrivalTime: 16 Feb 2007 12:37:44.0080 (UTC) FILETIME=[41649100:01C751C7] X-CCLRC-SPAM-report: -4.9 : BAYES_00 X-Scanned-By: MIMEDefang 2.56 on 128.6.228.213 X-Scanned-By: MIMEDefang 2.37 Sender: owner-psik-network-at-dl.ac.uk X-Spam-Checked: Spamassassin version 3.1.7, by Rutgers Physics X-Spam-Score: -2.6, tests=BAYES_00 Status: R X-Status: X-Keywords: This is a multi-part message in MIME format. ------_=_NextPart_001_01C751C7.417DB600 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable =20 -----Original Message----- From: owner-psik-coord-at-dl.ac.uk [mailto:owner-psik-coord-at-dl.ac.uk] On = Behalf Of Paul Fleurat-Lessard Sent: 16 February 2007 11:27 To: PSIK-coord Subject: Two post-doc positions Dear Psi-K coordinator, I would like to advertise for two post-doctoral position in the area of = Quantum Chemistry and Molecular Dynamics. One postition is at the = Chemistry Laboratory, Ecole Normale Sup=E9rieure de Lyon, in Lyons, = France, and the other is at Applied Mathematics Group, Ecole Nationale = des Ponts et Chauss=E9es, Paris. There is no restrictions on residence or nationality. I am attaching the two LaTex files, that have been written using your = templates. For completeness, I am also putting the plain text = announcements at the end of this email. With best regards, Paul. ---------------------- Proposal 1 ----------------------------- Topic: Efficient methods to find reaction paths. Localisation: =C9cole Normale Sup=E9rieure de Lyon, France A post-doctoral position is available in the Chemistry department of the = =C9cole Normale Sup=E9rieure (Lyon, France). The position is now open, = and funded for 12 months from starting date. The net salary is = approximately 2000 euros per month. The successful candidate will develop and test methods to find reaction = mechanisms at an atomistic level. These reaction paths should be = determined both at 0K and at finite temperature, on the free energy = surface. This project thus belongs to the more general topic of = overcoming high barrier in the study of rare events. Development of news = methods/algorithms lays at the interface between applied mathematics and = chemical physics and will be jointly supervised by Paul Fleurat-Lessard = (Chemical Physics) and Tony Leli=E8vre (applied mathematics). The host = laboratory is the Chemistry Laboratory (Lyon). Short stays at the = CERMICS (laboratory of applied mathematics, =C9cole Nationale des Ponts = et Chauss=E9es, Paris) are scheduled. These methods will be coupled to = standard quantum chemistry packages as well as molecular dynamic codes. Besides simple test reactions, applications will include realistic = models of complex systems used in aqueous electrochemistry and = heterogeneous catalysis. Applicants should hold a PhD in theoretical chemistry/physics, applied = mathematics, or other related areas with a competitive track record. Candidates are required to have experience in numerical scientific = computing, with quantum chemistry program packages or molecular dynamics = packages. Experience of free energy calculations is desirable. Fluency = in a high-level programming language, such as FORTRAN90 (preferred) = or/and C/C++ is a requirement. Experience with parallel computing = libraries, such as MPI, and extensive experience in a unix/linux = environment is a definite advantage. Motivated candidates are invited to send their CV, including a short = motivation for carrying out this project, list of publications, abstract = of research results (1 page) and two recommendation letters by e-mail = (preferred format pdf or plain text) to Paul Fleurat-Lessard Laboratoire de Chimie, UMR CNRS 5182, =C9cole Normale Sup=E9rieure de Lyon 46, All=E9e d'Italie 69364 Lyon Cedex 07 France Tel: +33 4 72 72 81 54 Fax: +33 4 72 72 88 60 E-mail: Paul.Fleurat-Lessard at ens-lyon.fr This theoretical work is part of a new project funded by the French = National Research Agency (ANR) within the framework of the High = Performance Computing and Simulation Program. The other partners are = laboratories with first class expertise in electronic structure = calculation and applied mathematics. More details about the project and other available positions can be = found at: http://perso.ens-lyon.fr/paul.fleurat-lessard/ANR -------------------Proposal 2 ------------------------------------- Topic: Ab initio simulations of electrochemical processes in fuel cells Localisaion: =C9cole Nationale des Ponts et Chauss=E9es, Paris, France Electrochemistry is at the basis of a wide variety of chemical = processes, including in particular energy generation in fuel cells. Due = to the expected high impact of breakthroughs in fuel cell technology, = many attempts to improve electrochemical processes in fuel cells are in = progress. A number of them make use of ab initio simulations as a = complement to, or a guideline for, experiments. Yet, ab initio simulations in electrochemistry raise the issue of = computing the electronic structure of a solid/solvent interface = subjected to an electrostatic potential. The simulation methods = available to date allow to impose the charge, hence only indirectly the = potential. This way to proceed is not really applicable for the = simulation of electrochemical reactions, for the latter usually take = place at constant potential. Indeed, if one imposes the charge, the = potential varies during the reaction process. The purpose of this research project is to design, implement and test on = benchmark examples, grand canonical self-consistent field (SCF) = algorithms, in which the potential is held fixed, while the charge may = change in the course of the iterations. This research project lays at = the interface between applied mathematics and chemical physics and is = jointly supervised by Eric Canc=E8s (applied mathematics) and = Jean-S=E9bastien Filhol (chemical physics). The host laboratory is the = CERMICS (laboratory of applied mathematics, =C9cole Nationale des Ponts = et Chauss=E9es, located 25 minutes from the center of Paris, and easily = accessible with public transportation). Monthly short stays at the ICG = (Theoretical physics/chemistry group, Institut Charles Gerhardt, = University of Montpellier, south of France) are scheduled. Candidates must have a PhD in applied mathematics, physics or quantum = chemistry, and an experience in computer programming (Fortran, C or = C++). This post-doctoral position is granted by the French research council = ANR and is open from June 2007. The net salary is approximatively 2000 = euros per month. The initial contract will be for one year, with = possible renewal for a second year. Applications (CV, letter of motivation and two recommendation letters) = can be sent by e-mail to Prof. Eric Canc=E8s (cances at cermics.enpc.fr) This theoretical work is part of a new project funded by the French = National Research Agency (ANR) within the framework of the High = Performance Computing and Simulation Program. The other partners are = laboratories with first class expertise in electronic structure = calculation and applied mathematics. More details about the project and other available positions can be = found at: http://perso.ens-lyon.fr/paul.fleurat-lessard/ANR ------------------------------------------------------------------ -- Fleurat-Lessard Paul, Lecturer e-mail: Paul.Fleurat-Lessard-at-ens-lyon.fr = Laboratoire de Chimie Ecole Normale Sup=E9rieure de Lyon Tel: + 33 (0)4 72 72 81 = 54 46, All=E9e d'Italie Fax: + 33 (0)4 72 72 88 = 60 69364 Lyon Cedex 07 ------_=_NextPart_001_01C751C7.417DB600 Content-Type: application/x-tex; name="PsiK_Carte.tex" Content-Transfer-Encoding: base64 Content-Description: PsiK_Carte.tex Content-Disposition: inline; filename="PsiK_Carte.tex" JSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUl JSUlJSUlJSUlJSUlJSUlJSUlJSUgDQolJSUlJSUlICBUZW1wbGF0ZSBmb3IgdGhlIExhVGVYIERv Y3VtZW50IFN0eWxlIG9mIFBzaS1rICBOZXdzbGV0dGVycyAlJSUlJSUlJSANCiUlJSUlJSUlJSUl JSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUl 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