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positions [2017/11/24 09:04]
89.206.115.205
positions [2019/04/24 15:08]
2a0c:5bc0:40:14f0:f9d1:e2b3:d0b5:f640 Postdoctoral Research Associate in Development of Computational Methods for NanoElectrochemistry
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-====== ​Open Positions ​======+**Postdoctoral Research Associate in Development of Computational Methods for NanoElectrochemistry** 
 + 
 +**Reference**:​ NAT00416 
 + 
 +**Closing date**: 15 May 2019 
 + 
 +**Salary Range**: £37,486 – £46,499 + benefits 
 + 
 +**Job description** 
 + 
 + 
 +A postdoctoral position is available in the //​Computational NanoElectrochemistry group// at Imperial College London, UK,  
 +[[https://​www.imperial.ac.uk/​people/​c.cucinotta]],​ 
 +on methods and code development in the CP2K linear-scaling DFT program.  
 + 
 + 
 +This position is within a multidisciplinary project, in collaboration with the main developers of CP2K (DFT) and Smeagol (electron transport) codes at the University of Zurich (UZH), CH, and the National Physics Laboratory (NPL), UK. 
 + 
 +You will work on developing a stationary non-equilibrium reformulation of DFT based MD, where the functional embeds information on electronic currents and applied potential in addition to the equilibrium electron density. The key initial task will be the implementation of an interface between two very popular codes, such as Smeagol (for electron transport) and CP2K (for DFT). The subsequent task is to enable the calculation of current/​bias induced forces, which will be used to perform grand canonical MD under current/​bias on models describing electrolyte-electrode interfaces at increasing levels of sophistication. 
 + 
 + The project may include work on additional fundamental theoretical and computational aspects of non-equilibrium molecular dynamics. You will be closely interacting with the other members of the team; the development of collaborations with experimentalists is possible and strongly encouraged. 
 + 
 + 
 +**The project** ([[https://​gow.epsrc.ukri.org/​NGBOViewGrant.aspx?​GrantRef=EP/​P033555/​1]]) 
 + 
 +Our ultimate research goal is to speed up the atomistic design of energy and information technologies. The tool is enabling the atomistic simulation of the EC transformation under operating conditions by combining molecular dynamics (MD) and electron transport methodologies. The objectives, developing new methods, models, applications and concepts of progressively increasing sophistication,​ for the realistic modelling of electrified interfaces and junctions at the nanoscale. 
 +We aim to fulfil three intimately related theoretical and computational challenges:  
 +(i) developing the tools to enable grand canonical modelling of EC transformations,​ facing the challenges posed by the combined control of currents, forces and the EC potential in a simulation;​ 
 +apply the developed methodologies to study (ii) fundamental electro-catalytic phenomena at electrified interfaces, as found in corrosion and water splitting, as well as (iii) current and bias induced effects at nanointerfaces,​ such as electromigration,​ electromechanics and redox/​resistive switching. 
 + 
 +**Essential requirements** 
 + 
 +Essential requirements for the role include: 
 + 
 +• A PhD (or equivalent) in physics, chemistry or related discipline. 
 +• Experience of parallel programming in Fortran/C++ for distributed computing (e.g. MPI) and/or shared memory (e.g. OpenMP) architectures for scientific software development;​  
 +• experience of writing and/or using scientific modelling codes in a technical or research environment;​ 
 +• a strong background in fundamental physics and/or chemistry, electronic structure theory and/or modern computational approaches to materials;​ 
 +• Excellent written and verbal communication skills; 
 +• Ability to co-supervise the work of a small team;  
 +• Creative approach to problem solving. 
 + 
 +Additional information can be found following the link 
 + 
 +[[https://​www.imperial.ac.uk/​jobs/​description/​NAT00416/​research-associate-development-computational-methods-nanoelectrochemistry/​Job%2BDescription.pdf]] 
 + 
 +**Further information** 
 + 
 +The position is available immediately and for 2 years, with the possibility of extension for up to 4 years.  
 + 
 +We offer a great working and scientific environment in an emerging group, the possibility to mature into a leader in computational electrochemistry with a multidisciplinary expertise, participation in international conferences,​ training, and the possibility to collaborate with experimental and theoretical groups. 
 + 
 +Candidates need to complete an online application 
 + 
 +[[https://​www.imperial.ac.uk/​jobs/​description/​NAT00416/​research-associate-development-computational-methods-nanoelectrochemistry/​]] 
 + 
 +and include a cover letter, a motivation statement (300 words max) briefly describing your main research achievements to date and why you would like to apply for this post, a CV and publication list as well as the names and contact details of at least two referees. 
 + 
 +*Candidates who have not yet completed their PhD will be appointed as Research Assistant with a salary of £34,397 to £37,486 per annum. 
 + 
 +Potential applicants are advised to contact dr.Clotilde Cucinotta (c.cucinotta@imperial.ac.uk) for more detail. ​  
 + 
 +Should you need any assistance with the application process, please contact: Mr. John Murrell j.murrell@imperial.ac.uk. Should you have any other queries please contact: recruitment@imperial.ac.uk. 
 + 
 +Please quote reference NAT00416 on all correspondence. 
 + 
 + 
 + 
 + 
 +======= ​PostDoc positions available in Theoretical Chemistry in Lyon, France ​=======  
 + 
 +Several positions are available in the group of Theoretical Chemistry of the Chemistry Lab at the ENS de Lyon, Lyon, France. This group gathers several PIs and span a variety of topics, from the simulation of ionic liquids to catalysis, and a variety of scales, from nano to mesoscale. The group can access a local meso center (8000 CPU) and the national clusters. With more than 16 PhD students and PostDocs from more than 10 different countries, it is very international,​ and Lyon in a very attractive town for academics, with a dedicated service to welcome scientists and their families.  
 + 
 +Send an email to the corresponding PI with a short motivation statement, a CV and two to three contacts for recommandation.  
 + 
 +** PostDoc position in Computational Chemistry at ENS Lyon in collaboration with Total, France ** 
 + 
 +** Starting Date** 
 +as soon as possible. 
 + 
 +** Title ** 
 +Understand action mechanism of detergent additives by molecular simulation  
 + 
 +** Advisors ** 
 +Dr. C. Michel, Dr. S. Steinmann, Dr. S. Loehlé 
 + 
 +** Description ** 
 + 
 +A postdoc position of 18 month is available to work with Dr. Carine Michel & Dr. Stephan Steinmann in the laboratory of computational chemistry of ENS Lyon (France). It is financed by Total. 
 +The development of high performance fuel is an important challenge in the optimization of engine work, energetic consumption decrease, etc. The knowledge of how fuel additives are working is becoming crucial. Among additives that are used in the formulation,​ detergents are very important in the ‘clean up’ process of the engine. Relying on molecular simulations (DFT and DFT-B), the objective here is to obtain a better understanding at the nanoscale of the action of detergents toward soot and metallic surface in order to identify key parameters and to screen molecules for highest efficiency. This will enable to design optimal detergents. Frequent exchange with Total will be needed and parallel experimental studies at Total will be performed in order to validate the theoretical results 
 + 
 +We invite candidates with a completed PhD degree (or equivalent) in computational chemistry, physics or materials science. The successful candidate is expected to bring strong interest in applying simulation methods to solving problems of industrial and scientific interest and would be creative, curious, initiative taker and open-minded person. Strong knowledge of DFT or semi- empirical methods are required, with preferentially both and some knowledge of classical simulations and physical-chemistry of interfaces is a plus. Interest and ability for scripting with Python will be appreciated. We further expect good written and oral communication skills in English, the ability to work independently,​ and cooperate with partners. 
 +ENS Lyon has a strong track record in the modeling of heterogeneous catalysts using periodic DFT and is currently developing novel strategies to describe slid/​liquidinterfaces. This top-ranked French university is located in the beautiful city of Lyon in the south of France (UNESCO Heritage Site). The work-contract of 18 month includes French Social Welfare (basic health insurance, un- employement insurance, etc). 
 +Please send your application (including a 1-page motivation letter illustrating your research interests, CV, and contact information of at least two references) to Dr. Carine Michel (carine.michel_at_ens-lyon.fr) or Dr. Sophie Loehlé (sophie.loehle_at_total.com). 
 + 
 +** Selected References ** 
 + 
 +Steinmann*, S. N.; Sautet, P. & Michel, C. “Solvation free energies for periodic surfaces: comparison of implicit and explicit solvation models” PCCP, 2016, 18, 31850-31861 
 +Steinmann*, S. N.; Ferreira de Morais, R.; Götz*, A. W.; Fleurat-Lessard,​ P.; Iannuzzi, M.; Sautet, P. & Michel, C. “A Force Field for Water over Pt (111): Development,​ Assessment and Comparison” JCTC, 2018, 14, 3238-3251 
 + 
 +[[http://​www.ens-lyon.fr/​CHIMIE/​emploi/​pdf-pour-les-jobs-2016-2017/​2019-detergence-partii.pdf?​lang=en|PDF Announcement]]  ​
  
-Open positions related to CP2K can be posted on this page. Update status as needed. 
  
  
positions.txt · Last modified: 2019/04/24 15:08 by 2a0c:5bc0:40:14f0:f9d1:e2b3:d0b5:f640