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 Заголовок сообщения: Postdoc and Phd applications
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Не смотря на то, что речь ниже идет о катализе и нано-химии, у физиков заинтересованных в этой области есть очень хорошие шансы на успех.

In anticipation of approval of a major funding initiative, applications from Phd and postdoctoral candidates are sought. In particular, candidates with backgrounds in nanoscale preparation and characterization (porous materials, metals, metal oxides) and/or catalysis (kinetics, organic chemistry, reaction mechanisms) are desired.

Additional information about the Richards research group can be found at
http://www.jacobs-university.de/schools/ses/rrichards/

In order for full consideration, applications should include a curriculum vitae (with picture), cover letter explaining how the applicants’ skills may be useful in the Richards’ laboratory, transcripts (or copies) from undergraduate and graduate school, availability (soonest and latest possible starting dates) and the names of three references with contact information. Complete applications should be sent to Prof. Ryan Richards via email r.richards@jacobs-university.de. Applications will be evaluated on a regular basis until the position is filled. It is intended that this position will be filled as soon as possible after approval of the funding.

Jacobs University Bremen is a private, English language based research university in Northern Germany. The student body consists of approximately 600 undergraduates (from 80 countries) and 400 graduate students. More information can be found at www.jacobs-university.de The research facilities were newly constructed in 2003-2004 and are fully equipped with state of the art instrumentation.


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PhD position: Modelling Material Failure using Smooth Particle Applied Mechanics



A PhD position is available to start immediately in the group of Dr Karl Travis within the Immobilisation Science Laboratory (ISL) at the University of Sheffield, U.K. The project involves the application of Smooth Particle Applied Mechanics (SPAM) to study fragmentation of liquids and will include some collaboration with Professor William G.
Hoover.

The successful applicant should have a good degree in one of Physics, Chemistry, Materials Science, Applied Mathematics or equivalent. Since a considerable portion of the project will entail writing SPAM code, the ideal applicant should have experience in writing Fortran code.
Applicants must also have a strong mathematical ability.



The ISL is one of 4 University Research Alliances set up by the former BNFL to conduct research into nuclear waste management. It is also one of several research groupings that form part of the 6* RAE rated Department of Engineering Materials.



Interested candidates (open to UK/EU Nationals only) should contact Karl Travis directly by email (k.travis@sheffield.ac.uk) as soon as possible.
For more information on the modelling activities in this group, please
visit: http://www.shef.ac.uk/materials/staff/kptravis.html


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Postdoctoral position- Coarse grained models of soft matter- Imperial
College London

We seek a post doctoral research associate to participate in the
Molecular Systems Engineering workgroup, a multidisciplinary task force
with funding both from EPSRC and several industries.
The candidate will have the unique opportunity to interact with a
diverse grouping of physical chemists and engineers focusing on the
development of coarse graining strategies for the molecular modeling of
soft matter (polymers, liquid crystals and self- assembling fluids)

Applicants should have a Ph.D. in Chemistry, Chemical Engineering,
Physics or a related discipline as well as a strong background in
statistical mechanics. Experience in atomistic and mesoscale modeling
is desirable. The initial appointment will be for one year with the
possibility of extension for additional year(s). Interested candidates
should follow the below mentioned links to complete an application
Deadline is set for Dec 10.


http://www3.imperial.ac.uk/employment/r ... en20070293


Dr. Erich A. MULLER (e.muller@imperial.ac.uk)
Department of Chemical Engineering
Imperial College London
South Kensington Campus; London SW7 2AZ; U.K.
Tel: +44(0)20 7594 1569


________________________________________________________________________
____________________________________________
The Materials Simulation Laboratory (MSL) at USF Physics Department
invites applications for several postdoctoral positions which are
available immediately. The MSL research interests include simulations of
matter at extreme conditions, molecular electronics, spintronics and
development of methods for large scale atomistic simulations of
materials. For more information please visit MSL web site at
http://msl.cas.usf.edu

Applicants should have a PhD degree in theoretical/computational
condensed matter physics, chemistry, materials science and other closely
related fields. The successful candidates should also have extensive
programming skills in C/C++, Fortran and Linux environment. Knowledge
parallel programming including MPI is a plus.

Interested applicants should send a CV, complete list of publications,
1-2 page description of research experience and technical skills, names
and email addresses of 3 references to Prof. Ivan Oleynik at
iioleynik@gmail.com


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Contents
1) PDRA at Utrecht
2) PhD Studentship in Evry (Paris region)

_____________________________________________________________________________________________________________________
Post-doc in computational biomolecular NMR
===================================

Description of the Faculty / Research group
----------------------------------------------------------
The new Faculty of Science consists of six departments: Biology,
Pharmaceutical Sciences, Information and Computing Sciences, Physics and
Astronomy, Mathematics and Chemistry. The Faculty is home to 3500
students and nearly 2000 staff and is internationally renowned for the
quality of its research.

The NMR Research Group (http://www.nmr.chem.uu.nl), headed by Prof.
R. Boelens, is part of the Chemistry Department (http://
www.chem.uu.nl) and belongs to the Bijvoet Center for Biomolecular
Research (http://www.bijvoet-center.nl). The research within the NMR
group is focused on the structure determination of proteins and protein
complexes by high-resolution NMR spectroscopy and bio- computational
modelling. The group has strong research lines on protein-DNA and
protein-protein complexes in transcription and DNA repair and modelling
of bio-molecular complexes. The NMR Research group also belongs to the
European NMR Research Infrastructures (www.eu-nmr.eu), providing
experimental NMR access to European groups.

We are searching for a researcher (post-doc) in computational
biomolecular NMR.

Job description
---------------------
You will be part of a European team working toward the deployment and
unification of the NMR computational infrastructure in system biology, a
project funded under the 7th framework programme of the European Union
(Contract no. 213010 – eNMR).
NMR plays an important role in life sciences (bio-NMR), and structural
biology in particular, at both European and international levels. The
main objective of this project is to optimize and extend the use of the
NMR Research Infrastructures of EU-NMR through the implementation of an
e-Infrastructure in order to provide the European bio-NMR user community
with a platform integrating and streamlining the computational
approaches necessary for bio-NMR data analysis (e-NMR). The e-NMR
infrastructure will be based on the Grid infrastructure.
For this, you will work on the development of a uniformed and integrated
e-NMR platform that will form the core of the e-NMR infrastructure. The
work will be carried in close collaboration with our European partners.

Qualifications
-------------------
You should have a Ph.D. degree in chemistry, physics, bioinformatics,
computational biology or a related field. You should possess a strong
research background in the computational aspects of biomolecular NMR
and structure calculations, experience with Linux and programming
skills, and are expected to show initiative and be able to work
independently.

Terms of employment
------------------------------
We offer initially a position for two years with a possible extension by
one year. Salary is dependent on qualifications and experience and
ranges from €2740.- to €3597.- gross per month (salary scale 10).
The salary is supplemented with a holiday bonus of 8% per year and a
year-end bonus of 3% per year. We also offer a pension scheme.
Employment conditions are according to the Collective Labour Agreement
of Dutch Universities.

Further details
--------------------
For further information contact Dr. Alexandre M.J.J. Bonvin (Phone:
+31-30-2533859 Fax: +31-30-2537623 Email: a.m.j.j.bonvin@uu.nl).

How to apply
------------------
Your application, referring to vacancynumber 65720, including a CV
with contact information of two referees, should be sent to
Science.PenO@uu.nl or: Faculty of Science, Personnel department, PO Box
80010, 3508 TA Utrecht.

_____________________________________________________________________________________________________________________

PhD Studentship in Evry (Paris region)

Research field: Physical chemistry

Title: Direct Molecular Modelling of ElectroSpray Processes in Mass
Spectrometry
(ESI-MS)

Abstract

This thesis is aimed at modelling and understanding the electrospray
technique at an atomistic level. This work is part of a global
laboratory project devoted to theoretically describe electrospray/mass
spectrometry experiments (ESI/MS).
Electrospray - daily used in experiments performed in our laboratory to
produce ions in the gas phase which are subsequently analysed by mass
spectrometry - is supposed to produce ions in a "soft way". This
technique is thought to preserve the ion liquid phase structure, after
evaporation of all the water molecules.
Many experiments show that this is not true, though. The thesis proposed
here will try to answer the following question: during the electrospray
process, are liquid phase structures preserved in the gas phase (where
they are characterised by mass spectrometry) ?

To understand the mechanism producing ions in the gas phase from a
system initiated in an aqueous medium, we will set up molecular dynamics
simulations using a classical description of interactions between the
different particles (quantum chemistry calculations will help in the
parameterisation procedure) and Newton dynamics (including dissipation).
At this end, the laboratory has a home made molecular dynamics code
(MDVRY). In the dynamics algorithm, electric field and pressure gradient
effects will be added. Also ab initio molecular dynamics will be
performed as reference for classical simulations.

During the thesis, the PhD student will gain skills in different domains
of molecular modelling: quantum chemistry, ab initio and classical
molecular dynamics simulations and force field development. Furthermore,
he/she will be involved in developing our MDVRY molecular dynamics code,
such that he/she will also gain skills in scientific programming.

The thesis will be held in France near Paris (about 40' from downtown by
city
train) in a laboratory with researchers from CEA (Saclay), CNRS and
University (Evry). Part of the project could be done in collaboration
with F.Calvo (LASIM, Lyon), P.-A.Hervieux (IPCMS, Strasbourg),
R.Vuilleumier (LPTMC, Paris) and F.Martin (Universidad Autonoma De
Madrid). The supervisors are specialists in atomistic modelling and
theoretical physical-chemistry. A master in chemistry or physics is
required.

Salary: between 1780 and 1936 euros/month for first and second year
(depending on the experience), around 2000 euros/month the third year.

Contact people:
Dr. Riccardo Spezia (riccardo.spezia@univ-evry.fr) and Prof.
Marie-Pierre Gaigeot (mgaigeot@univ-evry.fr),

tel: +33 1 69 47 76 53 ; +33 (0) 1-69-47-01-41

www.lambe.univ-evry.fr

Address: LAMBE UMR CNRS 8587, Université d'Evry val d'Essonne, Bd
F.Mitterrand,
91025 Evry Cedex, France.

Other details are also available in the INSTN/CEA web page:
http://www-instn.cea.fr/Publication_Suj ... uk&lang=EN


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Есть две позиции в Берлине.

PAUL DRUDE INSTITUT

FUR FESTKORPERELEKTRONIK

im Forschungsverbund Berlin e. V.


Ph. D. STUDENT POSITION


Phase change materials are widely used in optical data storage applications like DVD and blue ray discs. New applications arise in their integration with microelectronic circuits for electrically switched, fast and persistent memory to replace the current flash and RAM technologies. We investigate the epitaxial monolithic integration of Ge2Sb2Te5 and related compounds on III-V and IV semiconductors including the switching properties of these layer structures. A Ph. D. student position is presently available to investigate the switching mechanism of epitaxial phase change materials with subns time resolution. The structural changes will be analyzed using a pumpprobe setup combining a switching laser and synchrotron xray diffraction at our dedicated beamline at BESSY in Berlin Adlershof. The research aims at clarifying the structural changes involved in the switching process for application in highspeeed memory devices.
The activities are embedded in a joint German Japanese research program funded by DFG and JST.

We are seeking Ph. D. candidates with an interest in pulsed laser physics and optics with a solid background in semiconductor physics. The completion of the pumpprobe setup is part of the work. The experiments involve limited C++ or Labview programming. The work is mostly experimental, but may include as much theory as the candidate desires. The position is available immediately for two years. The salary is paid according to the German federal regulations. Applications including a CV should be sent (preferentially by email) to:

Dr. Wolfgang Braun
PaulDrudeInstitut
fur Festkorperelektronik
Hausvogteiplatz 57
10117 Berlin, Germany
phone: +49(0)3020377366
fax: +49(0)3020377201
email: braun@pdi-berlin.de


PAULDRUDEINSTITUT


FUR FESTKORPERELEKTRONIK

im Forschungsverbund Berlin e. V.


Ph. D. STUDENT POSITION


Phase change materials are widely used in optical data storage applications like DVD and blue ray discs. New applications arise in their integration with microelectronic circuits for electrically switched, fast and persistent memory to replace the current flash and RAM technologies. We investigate the epitaxial monolithic integration of Ge2Sb2Te5 and related compounds on IIIV and IV semiconductors including the switching properties of these layer structures. A Ph. D. student position is presently available to investigate the epitaxial growth and crystalline structure of phase change materials. The growth is analyzed in situ using synchrotron xray diffraction at our dedicated beamline at BESSY in Berlin Adlershof. The research aims at investigating possibilities for the monolithic integration of phase change materials with semiconductors for ultrahigh density memory applications. The activities are embedded in a joint German Japanese research program funded by DFG and JST.

We are seeking Ph. D. candidates with an interest in molecular beam epitaxy growth and xray diffraction and a solid background in semiconductor physics. The work is mostly experimental, but may include as much theory as the candidate desires. The position is available immediately for two years. The salary is paid according to the German federal regulations. Applications including a CV should be sent (preferentially by email) to:

Dr. Wolfgang Braun
PaulDrudeInstitut
fur
Festkorperelektronik
Hausvogteiplatz 57
10117 Berlin, Germany
phone: +49(0)3020377366
fax: +49(0)3020377201
email: braun@pdi-berlin.de

Пару коротких вопросов на русском языке можно и сюда:
shayduk@pdi-berlin.de

_________________
...Э-эх, нет буфета здесь наверное...
(х/ф Афоня)


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**********************************************************************

Mitteilung an die Benutzer der Supercomputer
des Forschungszentrums Juelich
18.02.2008

**********************************************************************



Für das Jülich Supercomputing Centre suchen wir zum nächstmöglichen
Termin eine/n


WISSENSCHAFTLICHE/N MITARBEITER/IN,

(mögl. prom.), Fachrichtung Physik, Chemie,
Mathematik, Informatik oder einem verwandten Fach
- Kennziffer 027/2008 -


In der Position erwartet Sie:

Die Abteilung Anwendungs-Support im JSC konzentriert sich u.a.
auf die Analyse und Optimierung von parallelen Programmen und
Methoden der Supercomputer-Nutzer. In dem von der EU geförderten
Projekt PRACE werden Simulationsprogramme aus den Naturwissen-
schaften, die auf Höchstleistungsrechnern des JSC ausgeführt werden,
insbesondere im Hinblick auf ihr Skalierungsverhalten optimiert.
Für die effiziente Nutzung der Zielrechner ist die genaue Kenntnis
sowohl ihrer Hardware- und Software-Architektur als auch der Struktur
der eingesetzten Programme unerlässlich. Die Programme sind mit Hilfe
von Programmierwerkzeugen hinsichtlich der Nutzung der Speiche-
hierarchie, der Effizienz der Parallelisierung und des Ablaufs der
Ein-/Ausgabeoperationen zu untersuchen und in Zusammenarbeit mit den
Entwicklern zu optimieren oder für Benchmarking-Zwecke aufzubereiten.


Wir erwarten von Ihnen:

Sie verfügen über ein abgeschlossenes Hochschulstudium in Physik,
Chemie, Mathematik, Informatik oder einem verwandten Fach. Zudem
besitzen Sie vertiefte Kenntnisse und Erfahrungen in der wissen-
schaftlich-technischen Anwendungsprogrammierung auf parallelen
Höchstleistungsrechnern. Dies umfasst insbesondere praktische
Erfahrungen bei der Nutzung von Supercomputern und der bei diesen
Rechnern angewandten Programmiermethodik, einschließlich der
Programmiersprachen Fortran, C und C++, der Kommunikationsparadigmen
MPI und OpenMP, des Betriebssystems UNIX/Linux und der gängigen
Programmierwerkzeuge. Weitere wichtige Voraussetzungen sind die
Bereitschaft zur intensiven Zusammenarbeit mit Entwicklern und
Benutzern aus Wissenschaft und Industrie sowie eine stark ausgeprägte
Eigeninitiative.


Erwünscht sind:

Optimalerweise verfügen Sie über Kenntnisse in Scriptsprachen wie
Perl.


--------------------------------------------------------------------


Des Weiteren suchen wir zum nächstmöglichen Termin eine/n


WISSENSCHAFTLICHE/N MITARBEITER/IN,

Fachrichtung Informatik, Technomathematik, Mathematik,
Elektrotechnik, Physik oder anderer informatiknaher Studiengänge
- Kennziffer 025/2008 -


In der Position erwartet Sie:

Die Abteilung Kommunikationssysteme im JSC ist ein erfahrenes und
engagiertes Team mit einem vielfältigen Aufgabenspektrum. Sie ist
für Planung, Betrieb und Weiterentwicklung der
Datenkommunikationsnetze im Forschungszentrum (lokale Netze, Internet,
Supercomputer-Anbindung) verantwortlich, stellt zentrale Systeme und
Dienste für die IT-Sicherheit bereit und betreibt Kommunikations-
dienste und -anwendungen. Durch Forschungs- und Entwicklungsarbeiten
in diesen Arbeitsgebieten stellt die Abteilung sicher, dass die
Kommunikations- und Sicherheitsinfrastruktur auch in Zukunft den hohen
Ansprüchen einer international handelnden Forschungseinrichtung
genügt. In dem von der EU geförderten Projekt PHOSPHORUS werden
Lösungen zur dynamischen, anwendergesteuerten Bereitstellung von
Netzwerkverbindungen in einem europäischen Testbett entwickelt. Sie
werden als Mitarbeiter/in der Abteilung Kommunikationssysteme das
internationale Team in diesem Projekt unterstützen. Des Weiteren
verstärken Sie unser Netzwerk-Team auch bei anderen Aufgaben von der
Untersuchung neuer Netzwerk-Technologien bis hin zum Betrieb der
Netze des Forschungszentrums.


Wir erwarten von Ihnen:

Sie verfügen über ein abgeschlossenes Hochschulstudium der Informatik,
Technomathematik, Mathematik, Elektrotechnik, Physik oder anderer
informatiknaher Studiengänge. Zudem besitzen Sie Kenntnisse und
Erfahrungen in der Theorie und Praxis der Kommunikationsnetze und
-systeme. Weitere wichtige Voraussetzungen sind Eigeninitiative und
die Fähigkeit zur kooperativen Zusammenarbeit mit Kollegen/innen sowie
in internationalen Projekt-Teams.

Erwünscht sind:

Optimalerweise besitzen Sie Kenntnisse in Linux, Programmierkenntnisse
in C/C++ und Scriptsprachen wie Perl.


Beide Positionen sind zunächst bis zum 31.12.2009 befristet zu
besetzen.

Teilzeitbeschäftigung ist grundsätzlich möglich.

Vergütung und Sozialleistungen erfolgen nach den Bestimmungen des
Tarifvertrages des öffentlichen Dienstes (TVöD). Die Verwirklichung
der Chancengleichheit ist wichtiger Bestandteil der Personalpolitik
im Forschungszentrum. Dafür sind wir mit dem Prädikat "TOTAL
E-QUALITY" ausgezeichnet worden. Bewerbungen von Frauen werden daher
ausdrücklich begrüßt. Bewerbungen schwerbehinderter Menschen sind
uns willkommen.


Bewerbungen bitte unter Angabe der jeweiligen Kennziffer an:

Forschungszentrum Jülich GmbH
Geschäftsbereich Personal
- Personalentwicklung -
52425 Jülich
Telefon: 02461 61-5809


Weitere Informationen unter
http://www.fz-juelich.de/jsc/neues/stellen




-------------------------------------------------------------------
-------------------------------------------------------------------
Forschungszentrum Jülich GmbH
52425 Jülich

Sitz der Gesellschaft: Jülich
Eingetragen im Handelsregister des Amtsgerichts Düren Nr. HR B 3498
Vorsitzende des Aufsichtsrats: MinDir'in Bärbel Brumme-Bothe
Geschäftsführung: Prof. Dr. Achim Bachem (Vorsitzender),
Dr. Ulrich Krafft (stellv. Vorsitzender), Prof. Dr. Harald Bolt,
Dr. Sebastian M. Schmidt
-------------------------------------------------------------------
-------------------------------------------------------------------


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http://www.sap.com/research

Пробуйте, может получится.


К.


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В SAP Research CEC Dresden есть порядка 20 открытых позиций разного формата:

    Internship
    Diploma thesis
    PhD thesis
    Researcher/Post doctoral

Попросили активно разослать эту информацию.

Требования и подробную информацию читать здесь
http://www.sap.com/about/company/resear ... /index.epx

Посылайте свои заявления через веб. Пишите еще мне, я вышлю адрес нашего ассистента, куда тоже будет нужно отправить заявления для ускорения процесса. Это нам сообщил сам ассистент.

К.


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Position Opening
Member of Technical Staff

ExxonMobil Research and Engineering Company has an immediate opening for a
Physicist, Polymer Physicist, Physical Chemist, or Chemical Engineer with a
background in theoretical polymer physics and computational polymer
dynamics at ExxonMobil’s Corporate Strategic Research Laboratory located in
Annandale, New Jersey.

The individual will be responsible for carrying out original research in
theoretical polymer physics, using quantum mechanics, statistical
mechanics, kinetics, and scaling concepts along with statistical or
stochastical computational methods in understanding the effects of polymer
chain architecture and organization on polymer properties and performance.
He/she will combine polymer rheological and scattering experiments with
molecular theory, dynamic modeling, and chain packing to understand the
polymer chain motion, meso-structure formation, and morphology development.
Ability to understand and predict the effects of processing on polymer
structure development is critical. The ultimate goal is to be able to
develop theoretically the polymer structure-processing-morphology-property
relationships.

Candidates should have most, if not all, of the following qualifications:

• Ph.D. in Physics, Physical Chemistry, or Chemical Engineering
• Expertise in quantum mechanics, statistical mechanics, polymer
dynamics, kinetics, and molecular theory and computation.
• Ability to combine theoretic models with experimental scattering,
spectroscopic, and rheological results to understand the effects of polymer
chain architecture on chain motions, packing, and meso-structure formation
• Knowledge of modern polymer theory and ability to model complex
polymeric systems and polymer processing
• Ability to develop micro-mechanical models to relate polymer
performance to polymer meso-structure
• Ability to carry out independent research, including proposing
exciting and worthwhile areas of study.
• Strong communication and interpersonal skills.
• Aptitude for working in team environments.
• Proficiency with computer hardware, software and programming.

ExxonMobil offers an excellent working environment and a competitive
compensation and benefits package. Please submit your cover letter and
resume to our web site: www.exxonmobil.com/apply. Reference MTSSPOM-5678BR
in both letter and resume.

ExxonMobil is an Equal Opportunity Employer


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Contents
1) PDRA : UCL, London
2) PDRA : University of Evry, France


-----------------------------------------------------------

Computational Postdoctoral Research Fellowship

Applications are invited for a postdoctoral research position in
computational biology, funded by the Medical Research Council, to work
on the project "Modelling the Structure and Properties of Natural Bone"
with Professor Nora de Leeuw at the Institute of Orthopaedics &
Musculoskeletal Science, University College London, UK

Natural bone is a protein-mineral composite, comprising a highly
hierarchical collagen matrix and nano-sized apatite mineral platelets,
where both phases impart their unique properties to the composite
material. In-depth molecular-level understanding of the structure and
functions of the protein matrix and the complex interfacial interactions
with the mineral phase is required to provide quantitative insight into
the formation and growth of the composite bone tissue, which will
improve our understanding of both healthy and diseased bone tissue, as
well as assist in the development of better composite materials for
bio-medical applications. The successful candidate will develop and
apply a range of computer modelling techniques to investigate the
structure and properties of the composite bone tissue, and in particular
the collagen matrix.

Applicants should have (or be about to obtain) a PhD in biology,
bio-medicine, bio-chemistry, chemistry, materials science or a related
subject, with a strong computational component. Experience of the
application of suitable computational techniques to bio-molecules is
essential and expertise in the modelling of large-scale protein
structures is highly desirable.

The salary for the post will be on the RA1A scale and will depend on
qualifications and experience.
Applications, which should include a full CV and the names and addresses
of two academic referees, should be sent by email or post to:

Professor Nora de Leeuw
Department of Chemistry
University College London
20 Gordon Street
London WC1H 0AJ.

Email: n.h.deleeuw@ucl.ac.uk
Tel: +44 (0)20 7679 1015

The closing date for applications is Friday, 30th May 2008

-------------------------------------------------------------------------------


Post-Doctoral position in Theoretical Physical Chemistry :
Development of a Valence Bond force field for molecular dynamics
investigations of environmental effects on the peptide bond

One-year Post-Doctoral position funded by PRES-UniverSud-France : joint
project between LCP-Laboratoire de Chimie Physique (Orsay) and
LAMBE-Laboratoire Analyse et Modélisation pour la Biologie et
l'Environnement (Evry). Both labs are located south of Paris, 40 minutes
train from Paris downtown. The candidate will work in both labs. Salary
will be around 2000 Euros/month.

The candidate should have a PhD in Chemistry or Physics, with experience
in Quantum Chemistry and/or Molecular Dynamics. Experience in scientific
programming is also required.
Position opened, to be fullfilled ASAP & preferentially no later than
october 2008.

We are looking for a Post-Docotoral candidate who will be in charge of
the development of a Valence Bond-type (VB) or 'matrix' force field in
order to characterise solvent induced vibrational effects in the O=C-N-H
peptide bond.
In such a force field, the elements of the matrix representation of the
system Hamiltonian are approximated by simple analytical expressions
similar to the one used in usual or 'scalar' force fields. A simple
analytical form is needed in order to investigate peptides of increasing
size and complexity (up to
proteins) in solution. In addition, a matrix form with coupling between
states of different charge distributions is needed particularly to study
environmental effects on hydrogen bonded systems, proton transfers,
chemical reactions, chromophore/solvent dynamics and vibrational
dynamics in relation with IR/Raman spectroscopy. These applications are
generally beyond capabilities of typical classical force fields.

The developped VB force field will be implemented in a molecular
dynamics (MD) code developped at the University of Evry (MDVRY). This
code is particularly well suited for classical MD of biomolecules.

Contacts :
Pr. Isabelle Demachy, LCP, isabelle.demachy@lcp.u-psud.fr, Tel : +33
(0)1 69 15
44 45
Pr. Marie-Pierre Gaigeot, LAMBE, mgaigeot@univ-evry.fr, Tel : +33 (0)1
69 47 01
41
See also our websites :
http://pagesperso.lcp.u-psud.fr/demachy/
http://www.lambe.univ-evry.fr/mpgaigeot/

--


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Есть аспирантская позиция в Берлине.

PAUL DRUDE INSTITUT

FUR FESTKORPERELEKTRONIK

im Forschungsverbund Berlin e. V.


Ph. D. STUDENT POSITION


Phase change materials are widely used in optical data storage applications like DVD and blue ray discs. New applications arise in their integration with microelectronic circuits for electrically switched, fast and persistent memory to replace the current flash and RAM technologies. We investigate the epitaxial monolithic integration of Ge2Sb2Te5 and related compounds on III-V and IV semiconductors including the switching properties of these layer structures. A Ph. D. student position is presently available to investigate the switching mechanism of epitaxial phase change materials with subns time resolution. The structural changes will be analyzed using a pumpprobe setup combining a switching laser and synchrotron xray diffraction at our dedicated beamline at BESSY in Berlin Adlershof. The research aims at clarifying the structural changes involved in the switching process for application in highspeeed memory devices.
The activities are embedded in a joint German Japanese research program funded by DFG and JST.

We are seeking Ph. D. candidates with an interest in pulsed laser physics and optics with a solid background in semiconductor physics. The completion of the pumpprobe setup is part of the work. The experiments involve limited C++ or Labview programming. The work is mostly experimental, but may include as much theory as the candidate desires. The position is available immediately for two years. The salary is paid according to the German federal regulations. Applications including a CV should be sent (preferentially by email) to:

Dr. Wolfgang Braun
PaulDrudeInstitut
fur Festkorperelektronik
Hausvogteiplatz 57
10117 Berlin, Germany
phone: +49(0)3020377366
fax: +49(0)3020377201
email: braun@pdi-berlin.de

_________________
...Э-эх, нет буфета здесь наверное...
(х/ф Афоня)


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Откуда: Konstantin B. Tarmyshov
1) Postdoctoral position in Multiscale Computational Material Science

Postdoctoral Position at MolNaC (Modeling Lab for Nanostructure and
Catalysis) Department of Chemistry University of Salerno, Salerno ITALY.

An exceptional Post Doc candidate is required to carry out a
collaborative research project involving MolNaC and an a well known
industrial
partner (ST Microelectronics)

You will be part of an academic/industrial team working to the
development and
application of new molecular simulation methods at atomistic and
coarse-grained level to polymeric materials relevant in Nanoelectronics.

The project involves development of new coarse-grain models of
nanocomposites
relevant for nanoelectronical applications. Experience in programming in
modifying and writing Molecular Dynamics and/or Monte Carlo codes (not
simply
using packages) is mandatory.

The appointment is for one year with the possibility of a yearly renewal
thereafter.

The research group (www.chem.unisa.it/groups/molnac) has good computational
facilities, and friendly atmosphere.

Computational facilities at Molnac include local workstations, two beowulf
cluster, and access to large computer resources via membership at the main
supercomputer centres in Europe.

Please send a CV and names of 3 references to Dr. Giuseppe Milano
(gmilano@unisa.it).



2) PhD-student-positions at Jacobs University Bremen, Computational
Chemistry,
Bremen, Germany

Two PhD-Student Positions in Computational Chemistry

The Computational Chemistry Group of Dr. D. Roccatano at Jacobs University
Bremen is seeking two PhD-candidates for research in the field of
computational chemistry.

The project thesis projects includes theoretical investigations, of the
interactions between triblock copolymers (single chains and micelles) with
water/air and biological interfaces, using computer simulations methods at
atomistic and coarse grained scale. The ultimate goal of the project is
improve the understanding of polymer/biological membrane interactions at
atomic and coarse-grained level. The results and the polymer models will be
also useful for technological (e.g.: biocompatibility) and medical (e.g.:
drug delivery) applications.

The project thesis will be in collaboration with Dr. G. Milano at MoLNaC
(Modeling Lab for Nanostructure and Catalysis) at University of Salerno
(Italy). The successful candidate will spend period of research work in
Salerno. The post is limited to three years.


Required qualifications:
- Self-motivated individual holding a Master of Science or equivalent
degree
in computational
chemistry, biology, (bio)physics, biochemistry or computer science.
- Strong interest and attention to details
- Good oral and written English language skills
- Interest and skills in mathematics and computer programming preferred
- Experience in molecular dynamics simulations, programming skills in a
programming (Fortran, C, C++) or scripting language Fortran (e.g., Perl,
Python), statistical mechanics are desirable.

We offer:
- Dissertation work in an interesting topic relevant to your career goal
- Learning quantum mechanics; statistical mechanics; computer simulation
methods
- Practical training in molecular simulations; quantum chemistry
calculations; algorithm and software development
- Salary is according to the BAT (German public service) scale.


Application procedure:

- Cover letter stating interests and career objectives
- Detailed CV including course work and grades (PDF format only)
- Indication of three reference persons

Applications in electronic form (PDF) are to be sent to (d.roccatano at
jacobs-university.de and g.milano at unisa.it)
--
Dr. Giuseppe Milano

*********************************************************
University of Salerno
Department of Chemistry
Mailing Adress:
via Ponte don Melillo -I-84084 - Fisciano (SA)
Tel: +39 089 96 9567
Fax: +39 089 96 9603
E-mail: gmilano@unisa.it
webpage: www.molnac.unisa.it
*********************************************************


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1) PhD studentships at Cardiff
2) Post Doc at University of Massachusetts
3) Post Doc at Michigan State University
4) PhD studentships at Dublin
5) PhD studentship Sheffield
6) PhD studentship Edinburgh

______________________________________________________________________________________________________________________

Two PhD positions supported by the Dow Chemicals Company (US) are
available at Cardiff University with Dr David Willock
(http://www.cf.ac.uk/chemy/contactsandpe ... llock.html)
to study Au catalysed activation of hydrocarbons for oxidation. The
project will involve quantum chemistry calculations on Au cluster models
of catalysts, both as free particles and on oxide supports. The
electronic structure results will be used to understand the binding of
reaction intermediates to metal particles and at the interface between
metal and oxide support. The project will be tightly coupled with an
experimental programme in the same area with the intention that catalyst
adaptations suggested by the theoretical results will be tested in the
laboratory.

The available funding will cover fees for UK/EU applicants and stipend
at the standard EPSRC rate (currently 12 940 pounds/yr).

In the first instance interested applicants should contact by email:
willockdj@cf.ac.uk.

______________________________________________________________________________________________________________________

Postdoctoral Position – Modeling the Self-Assembly of Ordered Nanoporous
Materials - University of Massachusetts Amherst


We seek a postdoctoral research associate to participate in a research
program on multiscale modeling of the self-assembly processes in the
synthesis of zeolites and other ordered nanoporous materials. The
research associate will work jointly with Peter Monson in Chemical
Engineering and Scott Auerbach in Chemistry. The research program is
predicated on the need for a more sophisticated understanding of the
synthesis processes in order to develop synthesis methods that give more
control over the crystal morphology. This is a prerequisite to the
newest applications for these materials, e.g., in zeolite membranes with
uniform crystal orientation. The project focuses on the clear solution
synthesis of silicalite-1, the all-silica form of the MFI zeolite
framework structure. This is a paradigm for nanoporous materials
synthesis and involves the use a template or structure directing agent
in the self-assembly process.


Applicants should have a background in statistical mechanics, including
experience with Monte Carlo and/or molecular dynamics simulations, with
a Ph.D. in Chemistry, Chemical Engineering, Physics or a related
discipline. The initial appointment will be for one year with the
possibility of extension for additional year(s). Interested candidates
should send an application via email (monson@ecs.umass.edu), including a
resumé and listing the names and contact information for three references.


Professor Peter A. Monson,
Department of Chemical Engineering,
University of Massachusetts,
Amherst, MA 01003
U.S.A.


Phone: (413) 545 0661


Email: monson@ecs.umass.edu

______________________________________________________________________________________________________________________

Postdoctoral position in computational materials chemistry, Michigan
State University, USA
----------------------------------------------------------
Postdoctoral research position in molecular modeling of materials is
available immediately at the Department of Chemistry, Michigan State
University in the group of R.J.Kirkpatrick and A.G.Kalinichev. We expect
candidates to have experience with classical and quantum molecular
dynamics simulations and be interested in application of these
computational techniques to study the properties of geochemically,
environmentally, and technologically important materials (minerals,
cement phases, polymer membranes, carbon nano-materials, etc.) focused
on the molecular-scale structure and dynamics of aqueous solutions at
interfaces and in nano-confinement with these materials.
Experience and interest in using inelastic and quasielastic neutron
scattering to study the same systems would be an additional asset.
For further details on our research projects see
http://www.msu.edu/~kalinich/research.html
To apply, please send a detailed CV, a list of publications, and the
names and addresses of three references to Andrey Kalinichev at
<kalinich{at}chemistry.msu.edu>


______________________________________________________________________________________________________________________

2 PhD Research Studentships in Computational Chemistry

School of Chemistry, Trinity College, Dublin 2, Ireland.

Two studentships in computational chemistry are available at up to
€21,500 (including fees - €5,500 for EU students) starting October 2008
funded through a Science Foundation Ireland Principle Investigator award.

The project involves the investigation of defects in technologically
relevant wide band gap ceramics used in a range of applications
including transparent conducting oxides and magnetic semiconductors. The
successful applicant will receive training in, and use state of the art
computational techniques to investigate the effects that doping wide
band gap ceramics have on relevant properties such as band gap, electron
localisation, defect states and conductivity. The project also involves
collaboration with experimental groups in the UK and USA.

Applicants are invited from candidates with a 2.1 or better degree in
Chemistry or related subjects. Please send a cover letter explaining
your interest in pursuing a PhD is this field with a CV and the names of
two academic referees to Prof. Graeme W. Watson, School of Chemistry,
Trinity College, Dublin 2, Ireland (watsong@tcd.ie). Telephone +353 1
896 1357.
http://www.tcd.ie/Chemistry/ Informal enquiries to Prof. G.W. Watson
through the email addresses above are welcomed.
_____________________________________________________________________________________________________________________
PhD studentship: Computer simulations of complex fluids

A PhD studentship is available in the group of Dr. Philip Camp, School
of Chemistry, University of Edinburgh, to pursue research in the broad
area of computer simulations of complex fluids. The studentship is for
three years from September 2008, and provides tuition fees and a stipend
for students who can demonstrate a relevant connection with the UK. The
eligibility requirements are summarised here:

http://www.epsrc.ac.uk/PostgraduateTrai ... bility.htm

Several projects are available, all of which will involve a degree of
collaboration with experimental or theoretical researchers. (1) Computer
simulations of polymer adsorption and self assembly on surfaces (in
collaboration with Dr. Vasileios Koutsos, University of Edinburgh). (2)
Computer simulations of structure, dynamics, and phase behaviour of
magnetic colloids (in collaboration with Professor Alexey Ivanov, Urals
State University). (3) Computer simulations of pattern formation in
biominerals (in collaboration with Professor Carole Perry, Nottingham
Trent University and Professor Richard Gordon, University of Manitoba).
For further details of the group's research activities, see

http://www.homepages.ed.ac.uk/pjc01

The successful candidate will possess, or expect to obtain, a first or
upper-second class degree in physics, chemistry, or other cognate
discipline. The desire to work on molecular simulations and statistical
mechanics of complex fluids is essential.

In the first instance, enquiries should be directed to Dr. Philip Camp,
School of Chemistry, University of Edinburgh, West Mains Road, Edinburgh
EH9 3JJ. Tel: +44 131 650 4763. E-mail: philip.camp@ed.ac.uk.
_____________________________________________________________________________________________________________________


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1) Conference : Molecular Dynamics for Non-Adiabatic Processes, IOP, London
2) PDRA, Pennsylvania State University
3) PDRA, Georgia State University in Atlanta
4) PDRA, University of North Dakota
5) PhD Studentship UCL, London

------------------------------------------------------------------------

Molecular Dynamics for Non-Adiabatic Processes

----------------------------------------------

Nanoscale phenomena, spanning multiple disciplines, share a unifying
core problem: excitations away from equilibrium that evolve through
non-adiabatic processes. Numerous techniques for modelling these have
been designed and are undergoing rapid further development, usually
within individual disciplines. A meeting is to be held to survey the
spectrum of molecular dynamics based methods in order to highlight their
strengths and weaknesses and to establish fundamental connections
between them. It will be held on 21-22 July, 2008, at the Institute of
Physics, 76 Portland Place, London

The format will be of a discussion meeting with invited talks given by
leaders in the field, followed by time for discussion. The speakers will

include:

John Tully

Oleg Prezhdo

Todd Martinez

Arieh Warshel

Sebastian Westenhoff

Tchavdar Todorov

E K U Gross

Lev Kantorovitch

Mads Brandbyge

Jonathan Tennyson

Dorothy Duffy

There will also be a poster session which is open to anyone registered
to attend the meeting. At registration please indicate if you will be
presenting a poster. There will be a prize of &pound;200 for the best student
poster.

Online registration for this meeting is at:

_http://www.iop.org/Conferences/Forthcoming_Institute_Conferences/2008/July/molecular_dynamics_for_non_adiabatic_processes/event_22243.html_


------------------------------------------------------------------------

*Postdoctoral position available
Computational chemistry of iron-oxide nanoparticles
*A postdoctoral researcher is sought to work on a NSF-funded grant to
study nucleation and growth of Fe-oxide nanoparticles. The successful
candidate will be part of a multi-disciplinary team of experimentalists
and modelers at Penn State, SUNY Stony Brook and the University of
Wisconsin-Madison tackling the fundamental problem of interfacial
control on phase stability at the nanoscale.
The successful candidate should have experience in density functional
theory calculations with preference for expertise using the VASP code.
If interested, contact
James Kubicki
The Pennsylvania State University
jdk7()psu.edu

James D. Kubicki
335 Deike Bldg.
Dept. of Geosciences
The Pennsylvania State University
University Park, PA 16802
814-865-3951
814-863-7823 (Fax)




------------------------------------------------------------------------

Postdoctoral Position in Computational Molecular Biophysics

A postdoctoral position in theoretical and computational biophysics is

available starting Fall 2008 in the Department of Chemistry at

Georgia State University in Atlanta. The appointment will be

for a period of one year and is renewable upon mutual consent.

The research will involve the study of biomolecular interactions and

signaling mechanisms, application of molecular dynamics simulations

to proteins and nucleic acids, and the application and development

of advanced simulation methods.

Applicants should have a strong background in the application of
statistical

mechanics and computer simulations to biological systems. A Ph.D. in
Chemistry,

Biophysics or a related field, and experience in molecular dynamics

simulation, programming, and Linux (or related operating systems) are
required.

Applicants should send CV, publication list, and names and contact
information

of three references directly to Dr. Donald Hamelberg by email at
dhamelberg@gsu.edu <mailto:dhamelberg@gsu.edu>

------------------------------------------------------------------------


*Description:* Assist Prof. Jerome Delhommelle in developing new
theoretical (molecular dynamics and/or Monte Carlo simulations) methods.
Work requires the derivation of mathematical expressions and their
computational implementation in a Unix/Linux environment using the
Fortran programming language. Research associate will be specifically
working on modeling, at the molecular level, the nucleation and growth
of metal and semiconductor nanocrystals. Newly developed programs and,
where appropriate, existing programs will be used to model systems of
interest. Assist in the preparation of manuscripts for publication based
on successful research. Assist graduate and undergraduate students in
understanding applications of statistical thermodynamics to chemistry.
*Special Software/Hardware Skills Needed:* Experience developing
molecular simulations programs using FORTRAN in a Unix/Linux environment.
*Other Skills Required:* Ph.D. in Chemistry, Physics or Chemical
Engineering, with emphasis on theoretical/computational method development.

*Salary:* $26,000 to $30,000, depending on experience.

*Contact Name:* Dr. Jerome Delhommelle
*Title:* Assistant Professor
*Address:*Department of Chemistry
Abbott Hall
151 Cornell Street Stop 9024
University of North Dakota
Grand Forks, ND 58202-9024
*E-mail:* recruitund@gmail.com <mailto:recruitund@gmail.com>


*
------------------------------------------------------------------------


*
EPSRC PhD Studentship

Modelling of functional hybrid organic-inorganic materials: from
structure to properties

Dr C Mellot-Draznieks (Chemistry)
Contact: c.mellot-draznieks@ucl.ac.uk <mailto:c.mellot-draznieks@ucl.ac.uk>

Applications are invited for an EPSRC funded PhD studentship in the area
of hybrid organic-inorganic materials.



The field of hybrid inorganic-organic framework materials, in which the
connection of an inorganic sub-network is secured by organic
functionalised molecules, is one of the major growth areas of materials
chemistry. Hybrid frameworks show an enormous diversity of chemical and
structural types, including coordination polymers, porous metal-organic
frameworks (MOFs), and extended inorganic hybrids. For example, MOFs
offer exceptional opportunities for rational design and host-guest
chemistry, including architectures with tuneable porosities and
framework flexibility [1-2]. At the interface of organic and inorganic
chemistry, this field is (literally) rapidly expanding and extremely
active.

Hybrid inorganic-organic framework materials already offer great
potential for innovative applications ranging from catalysis, gas
storage and separations of strategic gas such as CO2 and H2 (for
nanoporous systems) to phosphors and molecular electronics (for
condensed systems). One of the major obstacles in progressing the field
is the prediction and the understanding the relationships between
structure and physical/chemical properties. In this highly productive
field of materials sciences, computer simulations are now capable of
describing/predicting such complex materials with a high degree of
accuracy and have a major role to play in guiding the development of the
field [2].

This project aims at applying and developing computational methods to
study important and unresolved issues in the field of hybrid solids,
such as structure prediction and thermodynamic stability, strategic gas
storage (CO2, H2) and surface properties. It will involve various
approaches ranging from quantum mechanics to forcefield based
statistical mechanics. In addition, the project will benefit from our
existing collaboration with Professor Cheetham’s group at the University
of Cambridge, allowing to test and validate the calculations from a
comprehensive range of experimental data.

European Graduates with a First or Upper Second Class Degree (in
Chemistry/Physical/Materials Sciences) or equivalent, with an aptitude
for computer programming are invited to apply. The studentship is for
three years (starting january 2009) and includes tuition fees and travel
support, and an annual stipend approximately &pound;12,500 – &pound;14,300. The
studentship is only open to UK and EU students.

All enquiries and applications including a curriculum vitae and
names/adresses of 2 referees should be sent to: Dr. C. Mellot-Draznieks
c.mellot-draznieks@ucl.ac.uk <mailto:c.mellot-draznieks@ucl.ac.uk>; Tel:
0044(0)207 679 0050.



[1] M. Eddaoudi, J. Kim, N. Rosi et al. Science 2002, 295, 469.
[2] G. F&eacute;rey, C. Mellot-Draznieks, C. Serre et al. Science 2007, 315, 1828.


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PhD Studentship in Biomolecular Computer Simulations



Prof Jonathan W. Essex, School of Chemistry, University of Southampton



Applications are invited for a PhD studentship in Biomolecular Computer
Simulations. The position involves the application and development of
classical computer simulations to the calculation of protein-ligand
binding affinities, with particular emphasis on the modelling of
flexible protein systems. The studentship is part-funded by Organon, and
the research will be focused on systems of direct relevance to their
pharmaceutical research programme. The studentship will commence in
September 2008, with a stipend at the standard EPSRC rate of &pound;12900 per
annum. The studentship is only open to UK citizens, and applicants
should have, or expect to receive shortly, a good undergraduate degree
in chemistry, physics, biochemistry, or a similar discipline.



For further information regarding the position contact Jon Essex
(jwe1@soton.ac.uk , 023 8059 2794). Application details can be obtained
from Mrs Chun Borodzicz, chempgr@soton.ac.uk





Professor Jonathan W. Essex

Head of Chemical Biology

School of Chemistry

University of Southampton

Highfield

Southampton

SO17 1BJ

United Kingdom

Phone: +44 (0)23 8059 2794

Fax: +44 (0)23 8059 3781

Email: j.w.essex@soton.ac.uk

http://www.soton.ac.uk/~chemphys/jessex


_________________________________________________________________________________________________



University PhD Scholarship

*Computational modelling of heavy metals in contaminated soils*



*Job description*

The aim of the proposed project is to use quantum mechanical
calculations to determine the dissolution processes of pyrite ash, which
can be described as finely grained Iron-oxide soils containing high
levels of heavy metals. We need to establish the mobility of As, Cd and
Pb in pyrite ash, and how pH influences the dissolution processes. The
knowledge will be used to formulate suitable remediation techniques.



Contaminated soils and aquifers are often linked with industrial
activities. One example is the revelation of high levels of heavy metals
on sites associated with old paper mills. To produce cellulose the paper
mills used to dissolve wood in sulphite (SO_3 ^2- ) solutions, which was
produced on site by oxidising sulphur-rich minerals, such as FeS_2
(pyrite/fools gold), at high temperatures. The remaining ash is called
?pyrite ash? and its main components are Fe_2 O_3 , Fe_3 O_4 and SiO_2 .
The pyrite ash was often deposited along river banks to gain land, but
it was also used by the railways as it killed the weed. Pyrite ash
contains high levels of heavy metals such as As, Cd, Pb, Co and Cu.

Despite the spread of pyrite ash very little is known about its
dissolution processes. This is crucial information when making decisions
on contaminated soils, where pyrite ash has been used as landfill material.



The position is funded for three years and available from 22^nd
September 2008. There is a stipend linked with the position of 12600
GBP/year, and the possibility of extra paid demonstrating. Note that the
tuition fees will be paid by the PhD student demonstrating laboratory
classes.



*Requirements*

Applicants should hold an UK or EU citizenship, due to funding
restrictions, and have or expect to obtain at least a 2:1 BSc degree or
MSc degree in Chemistry, Physics, Environmental Sciences or related
topics. The position is in computational modelling, but advanced
computer skills are not required. However, an interest in learning
theoretical simulations is essential.



*Applications*

Prospective students should apply by accessing the following link:
http://records.kent.ac.uk/external/admi ... cation.php and by
sending a copy of their CV, including a covering letter outlining their
interest in the position (maximum one page) to spsrecruit@kent.ac.uk
<mailto:spsrecruit@kent.ac.uk>



*Additional Information*

About the position can be obtained by contacting:

Dr. Maria Alfredsson (m.l.alfredsson@kent.ac.uk
<mailto:m.l.alfredsson@kent.ac.uk>)


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