http://www.mcc.uiuc.edu Jobs in Materials Computation and Computational Physics en-us Copyright 2005 UIUC Thu, 20 Mar 2008 14:35:02 -0500 webmaster@mcc.uiuc.edu webmaster@mcc.uiuc.edu http://www.mcc.uiuc.edu/images/logos/mcc_generic_small.gif http://www.mcc.uiuc.edu/ 131 36 Thu, 20 Mar 2008 00:00:00 -0500 One postdoctoral research opening in the area of theory and modeling of hydrogen storage materials is available immediately in Professor Mei-Yin Chous group in the School of Physics at Georgia Tech. Candidates should have a strong record of research experience, including the use of computational electronic structure methods. The study will focus on understanding the fundamental science associated with the intrinsic materials properties of various complex metal hydrides, the hydrogen absorption and desorption dynamics, and the mechanisms of catalytic reactions. The goal of these studies is to facilitate materials design and improvement, and to explore novel hydrides with various compositions. Interested candidates should send their CV with names of three references to meiyin.chou--gt;physics.gatech.edu. http://www.mcc.uiuc.edu/news/jobs/index.html#386 Thu, 20 Mar 2008 00:00:00 -0500 The Department of Materials proposes to appoint a University Lecturer in Modelling of Materials with effect from 1st October 2008 or as soon as possible thereafter. The successful candidate will be offered a Tutorial Fellowship by St Edmund Hall, under arrangements described in the further particulars. The combined University and College salary will be on a scale up to BPS 52,628 per annum. Details: http://www.materials.ox.ac.uk/vacancies.html Closing_date: 2008-03-28 http://www.mcc.uiuc.edu/news/jobs/index.html#387 Sun, 16 Mar 2008 12:12:45 -0500 The Robert Bosch Research and Technology Center in Cambridge MA is looking for researchers in Physics, Chemistry, Materials Science or related fields for collaborative work with MIT on ab-initio modeling of materials for energy applications. The focus of this internship will be on ab-initio modeling of new functional materials, aiming to gain insights into microscopic mechanisms and properties, and to provide guidance for designing new materials for energy generation and storage applications. This is an opportunity to experience research in industry and work closely with the leading first-principles computational materials science groups. Internship duration can be six months to a year, or longer. Please send a CV including the academic record and research experience to boris.kozinsky--gt;us.bosch.com Closing_date: 0000-00-00 http://www.mcc.uiuc.edu/news/jobs/index.html#384 Thu, 7 Feb 2008 00:00:00 -0500 Postdoctoral Fellowship: New Strategies for Modelling Polyoxometalates School of Chemistry Faculty of Science Reference No. 121326 The School of Chemistry is one of the largest and most prestigious centres for chemical research and education in Australia, offering access to a comprehensive range of modern research and teaching facilities. An integral discipline within the Faculty of Science, it attracts an outstanding cohort of students and internationally-renowned academics, and is home to a vibrant and world-class research environment that is well-funded by industry and government. The School is currently seeking a results-driven Postdoctoral Fellow to develop a force-field based approach to modelling the structures of polyoxometalates. This project is funded by an ARC discovery grant and will involve use of commercial computational chemistry programs as well as the development of new software. This position offers an outstanding opportunity to conduct collaborative and unique research within a highly-reputed school. The recent development of nanomaterials and the ever widening scope of applications and outlooks involving these molecules is the most rapidly moving domain of science and industry and has made this field of investigation the new frontier of chemical research. Polyoxometalates, or polyoxoanions, are prototypical of the highly praised nanomaterials, displaying a versatility that raises interest in various domains of catalysis, magnetism, medical biology, functional materials and topology. They are a huge and structurally diverse class of compounds with remarkable but poorly understood chemical and physical properties. In this project, the Postdoctoral Fellow will develop a global framework for predicting the structures of polyoxometalates. Computational efficient molecular mechanics methods will be developed allowing a wide range of chemically relevant of polyoxometalates to be modelled. As PhD and Honours students will take part in the project, this appointment will involve general supervision and postgraduate training responsibilities. To succeed, you will have a PhD or will shortly satisfy the requirements for a PhD in a relevant discipline, such as theoretical or computational chemistry or physics, as well as demonstrate knowledge and skills in theoretical and/or computational physical science. You will also demonstrate the ability to contribute new ideas and develop new approaches in a research programme, as well as the ability to conduct research independently, but within a team environment. The capacity to communicate research outcomes internally and externally (oral and written) will be essential, as will strong support from knowledgeable referees. Experience in the use of density functional based computational chemistry and experience with scientific programming, including Unix and C language, will be desirable. The position is full-time fixed term for two years, subject to the completion of a satisfactory probation period for new appointees. There is the possibility of further offers of employment for 12 months, subject to funding and need. Membership of a University approved superannuation scheme is a condition of employment for new appointees. Remuneration package: $75,249 - $80,774 (which includes a base salary Level A $63,586 - $68,255 p.a., leave loading and up to 17% employers contribution to superannuation). For more information or to apply online, please visit http://positions.usyd.edu.au and search by reference number 121326. Specific enquiries about the role can be directed to Adam Bridgeman on (+61 2) 9351 2731 or by email a.bridgeman@chem.usyd.edu.au. General enquiries can be directed to Fabrice Nol on (+61 2) 9036 7295 or by email f.noel@usyd.edu.au. Closing Date: 12 March 2008 Closing_date: 2008-03-12 http://www.mcc.uiuc.edu/news/jobs/index.html#382 Wed, 6 Feb 2008 12:12:45 -0500 The NSF, DOE and NY State -supported research will use state-of-the-art first-principles methods for studying complex oxides, with applications in solid oxide fuel cells, lithium-ion rechargeable batteries, and sorption properties of iron oxyhydroxides. The focus will be on developing thermodynamic and kinetic models of atomic scale processes and assisting in interpretation of NMR and PDF data. The work will be done in parallel with extensive ongoing experimental characterization, allowing opportunities for collaborations with a wide range of experimentalists. The work will also involve close collaboration with Prof. Dane Morgan and the Computational Materials Group at University of Wisconsin. Interested candidates could spend time at both universities, providing opportunity to work with a range of modelers. Candidates would be able to make use of the recently installed IBM Blue Gene computer http://www.newyorkccs.org/. A PhD in chemistry, materials science, or related discipline is required. Familiarity with first-principles methods is essential The appointment is initially for one year with possible extension. Candidates should send a detailed CV (preferably in pdf format) and contact information for 3 references to Professor Clare Grey cgrey --gt; notes.cc.sunysb.edu. Review of applicants will begin immediately and will continue until the position is filled. Closing_date: 0000-00-00 http://www.mcc.uiuc.edu/news/jobs/index.html#374 Wed, 6 Feb 2008 12:12:45 -0500 The group of Professor Ceder, in the Department of Materials Science and Engineering at MIT, has a postdoctoral opening in the area of electronic structure theory and ab initio materials computations. Research in the group spans a wide range of areas, from method development and fundamental materials science, to the application of ab initio methods for the design of technologically important new materials. Currently, the group focuses on novel method development for the invention of new materials in the energy field (energy storage, capture and conversion). Candidates should have a strong theoretical and methods background and an interest in applications. Any subset of the following skills is particularly attractive: Theory of ab initio methods (DFT(+U), GW, hybrid xc functionals) Application of electronic structure to solid state materials Modeling of charge transfer in materials and at interfaces Linear response methods for polarization and piezoelectric effects Methods for optical absorption Ab initio molecular dynamics For those that are interested, interaction with industry is possible. Starting dates are negotiable starting now until Fall 2008. Applications are considered until the position is filled. Further information about the group can be found at http://burgaz.mit.edu/. Candidates should send a resume by email or postal mail with list of publications, names of references to: Professor Gerbrand Ceder Department of Materials Science and Engineering Massachusetts Institute of Technology 77 Massachusetts Avenue, Rm 13-5056 Cambridge MA -02139 USA gceder--gt;mit.edu Closing_date: 0000-00-00 http://www.mcc.uiuc.edu/news/jobs/index.html#375 Wed, 6 Feb 2008 12:12:45 -0500 post-doctoral position is available immediately in the area of numerical algorithms and software development for first-principles simulations. The successful candidate will work in the group of Prof. Francois Gygi at the Department of Applied Science of the University of California Davis (http://eslab.ucdavis.edu). Research on first-principles algorithms and software is supported by a 4-year NSF project on petascale first-principles simulations. The main goal of this project is to develop new scalable electronic structure numerical algorithms and implement them on petascale computers. Candidates should have a PhD in Physics, Applied Mathematics, Computer Science or equivalent discipline. Proficiency in scientific computing and programming is required. Familiarity with electronic structure methods and/or previous experience with MPI parallel programming, object-oriented programming, C++, and XML are strong advantages. Interested candidates should send a curriculum vitae with a list of references to Prof. Francois Gygi (fgygi at ucdavis dot edu). Closing_date: 0000-00-00 http://www.mcc.uiuc.edu/news/jobs/index.html#376 Wed, 6 Feb 2008 12:12:45 -0500 The National Renewable Energy Laboratory (NREL) invites applications for a theoretical postdoctoral position, available immediately. The successful individual will be a member of the Computational Materials Science group, and work closely with experimental and theoretical scientists in DOE's Hydrogen Sorption Center of Excellence. Activities include conducting computational materials design and characterization of nanoscale hydrogen storage materials using quantum mechanical electronic structure and molecular dynamics simulation techniques. The materials systems of interest include porous crystalline, molecular, or amorphous materials. NREL has excellent computational facilities and a stimulating, collegial working environment. The Initial assignment is for a year, but renewable upon funding availability, performance, and mutual agreement for up to a total of three years. A recent Ph.D. (less than three years) in physics, chemistry, and/or materials science with significant experience and familiarity with state-of-the-art electronic structure analysis software, is preferred. The starting salary is competitive with similar position elsewhere. Candidates should send a curriculum vitae including research interest, publication list, two or three electronic files (PDF) of their selected publications to yufeng_zhao--gt;nrel.gov, and arrange two or three reference letters upon request. Closing_date: 0000-00-00 http://www.mcc.uiuc.edu/news/jobs/index.html#377 Wed, 6 Feb 2008 12:12:45 -0500 ype of appointment: postdoctoral associate (s) The work to be done by the postdoc(s) will be related to the one (or more) of the following topics: phase stability of titanium superalloys high-throughput investigation of novel superconductors non proportionality of ceramics for nuclear detection (Research supported by ONR, NSF and NSF-DNDO). Candidates must have deep knowledge of thermodynamics of materials, solid state theory, kinetics of materials, surface science and ab initio calculations and programming (there is a lot of C/C++ coding involved on UNIX servers). Further information on the research of our group as well as a publication list can be found in the group web page: http://materials.pratt.duke.edu We consider applications until the positions are filled. Candidates should send (in PDF) 1) short cover letter 2) curriculum vitae (including list of publications) 3) description of their research activity and interests (1-2 pages) 4) list of 2-3 names (emails/phones) of potential references stefano.curtarolo--gt;duke.edu Closing_date: 0000-00-00 http://www.mcc.uiuc.edu/news/jobs/index.html#378 Wed, 6 Feb 2008 12:12:45 -0500 http://tiptop.iop.org/index.cfm?actionjob.descjobid8444 Closing_date: 0000-00-00 http://www.mcc.uiuc.edu/news/jobs/index.html#379 Wed, 6 Feb 2008 12:12:45 -0500 The IBM India Semiconductor Research and Development Center invites applications from outstanding scientists/engineers for multiple positions in the area of Technology-CAD for semiconductor nanotechnology at IBM, Bangalore, India. The candidates are expected to contribute to the design, theory, and modeling of next generation semiconductor nanodevices. The research and development work involves enhancing the IBM Technology-CAD tool Fielday? for semiconductor based nano devices. Interested applicants for the above regular research positions should have a Ph.D/MS in Electrical Engineering, Physics, or a closely related area. Please send your resume to, kotamurali--gt;in.ibm.com Closing_date: 0000-00-00 http://www.mcc.uiuc.edu/news/jobs/index.html#380 Wed, 6 Feb 2008 12:12:45 -0500 Rensselaer is seeking exceptional candidates for a tenure-track Career Development Kodosky Constellation Professorship. The successful candidate is expected to form a strong alliance in first-principles predictive theories with the current Kodosky Constellation Professor in the Department, Shengbai Zhang, to jointly establish and enhance scholastic distinction and leadership. We are especially interested in candidates with expertise in quantum transport, very large-scale electronic calculation, or many-body theory such as the GW quasiparticle or quantum Monte Carlo method, and with exceptional vision on revolutionizing computer-aided fundamental researches for energy conversion, future electronics, and nano sciences. Strong desire and ability to interact closely with experimentalists are required. Topics of interest include, but not limited to: 1) size and symmetry-driven nano physics, molecular and nano electronics; 2) complex phenomena of impurities and defects, physics of materials far from equilibrium or under extreme conditions, photovoltaics, solid-state lighting; 3) physical chemistry in nano catalysis, hydrogen storage, and other forms of energy generation and storage; 4) optical physics in the form of plasmonics, photonic crystal, and THz applications; and 5) organic and bio electronic materials. Details: http://www.rpi.edu/dept/phys/faculty/searches.html Closing_date: 0000-00-00 http://www.mcc.uiuc.edu/news/jobs/index.html#381 Wed, 30 Jan 2008 00:00:00 -0500 A postdoctoral position is available at Northwestern University for someone with expertise in both DFT (Wien2k, Vasp, PWSCF) and transmission electron microscopy. The research will be in a number of different areas including charge density measurements at both surfaces and for bulk materials; structure and energies of surface reconstructions; oxides for use either as catalysts or in solid oxide fuel cells. The applicant must hold a recent Ph.D. in physics, chemistry, or materials science. Further requirements for this position are: (1) A good knowledge of electronic structure theory. (2) Experience with first-principles calculations such as Density Functional Theory. (3) Extensive hands-on experience with transmission electron microscopy and diffraction (4) Ability to communicate effectively with coworkers and collaborators. (5) Demonstrated ability to write high-quality manuscripts suitable for publication in peer-reviewed journals. Applicants should send a CV with the name of two referees to L-marks @ northwestern.edu http://www.mcc.uiuc.edu/news/jobs/index.html#373 Thu, 15 Nov 2007 00:00:00 -0500 Theoretical study of dynamics of molecules inside helium nanodroplet Project description: Within the very active and exciting field of cold and ultra-cold temperature Physics, the interest on chemical reactions between cold atoms or "Cold-Chemistry" is emerging. The study of cold superfluid helium nano-droplets is part of this exploratory field of research. The theoretical project to be conducted aims at getting microscopic insight into the problem of collisions and reactions in helium nanodroplets. Stochastic quantum Monte Carlo methods will be employed to study helium droplets doped with open shell or with electronically excited systems which are relevant species when studying reactions. A particular attention will focus on both the effect of the helium environment on these particular dopants as well as on the effect of the electronic state of the dopant on the helium environment. Within the family of aggregates, objects between the gaseous and the solid phase, helium aggregates present fascinating features (low temperatures (380 mK), superfluidity, huge capture cross section, .... ) which make them popular 'nanoscale laboratories' for precise spectroscopic studies of different trapped molecules [Toennies et Vilesov, Angew. Chem. Int. Ed. 2004, 43, 2622]. Use of these aggregates for studying reaction dynamics, suggested since the initial experiments, is now an emerging experimental domain which needs parallel theoretical efforts. In the gaseous phase molecular collisions have been studied and well understood for several species. However, a collision between two particles is indeed very different in gaseous phase than on a droplet. Study of collisions in these conditions may provide additional information both on the collision dynamics and on droplet properties. Moreover, molecular dynamics in a droplet is likely to depend on the initial quantum state, which should open up novel possibilities of controlling collisions. The project leans on a twofold expertise of our group : i) quantum dynamics (atom-atom and atom-molecule) of inelastic and reactive collisions and ii) quantum Monte-Carlo methods for the determination of ro-vibrational spectra of molecules trapped in helium nanodroplets. The applicant will in particular study helium droplets doped with alkali atom (Li, Na, K, Rb, and Cs) in order to help in understanding the experiments on exciplexes formations. He/she will also work on the problem of formation of cold polar molecules via chemical reactions between excited alkali atoms and hydrogen molecules on the droplet (e.g. Li + H2 --gt; LiH + H). Candidate profile: The candidate should have a solid doctoral or post-doctoral formation either in the domain of molecular quantum dynamics or in quantum statistical methods. Skills in numerical programming and simulation are very appreciated. Details concerning the position will be posted later. However interested candidates are invited to send their application as soon as possible. Application: send CV, motivation letter and at least 2 recommendation letters to job.simpa.rennes@gmail.com http://www.palms.univ-rennes1.fr/SIMPA/articles.php?lngenpg89 Closing_date: 2008-02-29 http://www.mcc.uiuc.edu/news/jobs/index.html#359