Jobs in Computational Chemistry

Applications are invited for two JRF positions for a collaborative project (computational modeling and experiments on cell mechanics) between Dr. Raja Paul in the Department of Solid State Physics and Dr. Deepak Kumar Sinha in the Department of Biological Chemistry. Applicants are requested to send their applications along with the CV as an attachment through e-mail to [email protected] cc [email protected] . Subject of the email should contain “Application for JRF in SSP and BC “. Applications will be accepted until April 30, 2015 (12:00 noon). Applicants with knowledge in programming skills (e.g. in C, C++, Fortran, Matlab etc.) and motivation to work in biology will be given preference.   Name of the fellowship :   Junior Research Fellow (JRF)   No. of fellowship :   02 (two)   Duration of fellowship :   Three years   Essential Qualifications :   M.Sc. in Physics with a minimum of 55% + NET-JRF or NET-LS or GATE.   Nationality :   Applicant should be an Indian citi

Walk-in-Interview for Research Associate-I, Department of Physical Chemistry   Name of the Post :   RESEARCH ASSOCIATE-I   Essential Qualifications :   a) Candidate should have B.Sc. & M.Sc. degree with minimum average 55% marks.   Applicants should have a Ph.D.(Sc.) in the fields of Physical Chemistry/ Physics   Experience :   Experience in working in the areas of theoretical and computational chemistry/chemical physics   No. of post :   One (1)   Age limit :   There is no age bar   Emoluments :   As per rules of the Association.   Walk in Interview :   25/05/2015 at 3.00 P.M. in S. N. Bose Hall   This position is temporary (one year) and the candidate will have no right to claim (explicit or implicit) any post in the institute. The term can be extended to one more year after satisfactory completion of first term.   Selection Procedure For Indian Association for the Cultivation of Science (IACS) – Research Associate-I Post:   Written Test on 25/05/2015.   Shortlisted candidates

Candidates of Indian Nationality are invited to appear for the Walk-in Test/ Interview for project appointments under the following project. Appointment shall be on contractual basis on consolidated pay renewable yearly or upto the duration of the project, whichever is earlier  ·   Title of the Project: Supercomputing Facility for Bioinformatics Computational Biology as DBT’s Centre for Excelleance (RP02813) ·   Funding Agency : Department of Biotechnology (DBT) ·   Name of the Project Investigator:  Prof. B. Jayaram ·   Dett./Centre: Department of Chemistry Project Associate : 01  1st class M.Sc. in Chemistry with two years research experience in Computer Aided Drug Design and one publication in ISI Indexed Journal.  Rs. 27,500-30,250-33,000- 35,750-38,500-41,250-44,000/- p.m. plus HRA @ 20%  Room No. MS-718, Department of Chemistry, Indian Institute of Technology Delhi, Hauz Khas, New Delhi-110016  Project Assistant :01  Graduate Degree with four years of work exp

The Post-Doctoral Fellow in Computational Materials Science will bring expertise in the design of new nanomaterials for photovoltaics, photocatalysis, catalysis, and/or light emission. The incumbent will participate in the theoretical exploration and design of novel nanomaterials, focusing on optical and electronic properties and chemical reactions. In collaboration with other members of the group, the PDF will characterize the properties of the materials used experimentally and provide guidance for the design of new materials with desired properties for applications in solar cells, lighting, photodetection, photocatalysis and catalysis. The PDF will bring proven expertise in DFT modeling as well as understanding of semiconductor devices and chemistry as needed to enable close and successful collaboration with researchers in chemistry, materials science, and electrical engineering. Experience in some or all of the following areas is required: - Time-

Applications are invited for a PhD studentship to start in October 2015. The project will be based in the Department of Materials at Loughborough University, supervised by Dr Jamieson Christie. The project will be on the computer simulation of amorphous (glassy) materials for biomedical applications. The composition and structure of a given material strongly affect how useful it is for a specific medical application, and even small changes in the composition can lead to large differences in the material’s behaviour when it is implanted into the body. This project will continue our work in using classical and first-principles molecular dynamics to design improved materials for biomedical applications, by understanding the connections between the material’s composition, atomic structure and properties. Our recent work has included bulk metallic glasses for orthopaedic applications [Phys. Chem. Chem. Phys. 17, 12894 (2015)], phosphate glasses [J. Phys. Chem. B 117, 106

"Design and optimisation of lattice-matched electrode–electrolyte interfaces for all-solid-state lithium-ion batteries" Department of Chemistry, University of Bath, UK Applications are invited for a postgraduate research position in the Department of Chemistry at the University of Bath to work with Benjamin Morgan on the application of computational techniques for the development of high performance all-solid state lithium-ion batteries. The project will involve solid-state simulations, combining density functional theory with classical atomistic modelling (molecular dynamics / monte carlo), to study lithium-ion conduction in solid lithium-ion electrolytes and across solid–solid electrolyte–electrode interfaces. The project is funded by EPSRC and computing time is provided on the national supercomputer ARCHER and the University of Bath's cluster BALENA. Successful candidates should have (or expect) a good undergraduate degree (2:1 or higher)

The group, headed by Frank Ortmann, is researching fundamental processes in organic semiconductors with modern theoretical and computational approaches bridging charge transport methods with first principles methods. Understanding basic electronic and transport properties on different scales is essential to advance the field with great importance for many applications (OPV, organic transistors, OLEDs, etc.) For further information on our activity, please consult recent publications, e.g. Adv. Funct. Mater. 25, 1933 (2015), DOI: 10.1002/adfm.201402334 We are searching for an excellent PhD student to complement our team. Tasks: theoretical modelling and computer simulations of electronic properties and charge transport in molecular materials. Requirements: excellent university degree (Master or equivalent) in Physics, to be completed at the time of employment; experience in theoretical condensed matter physics as well as in computer simulations; good communication and writing skills in

Imperial College London; Centre for Doctoral Training in Theory & Simulation of Materials Up to 4 PhD studentships available for EU and UK students (October 2015 start) The Centre for Doctoral Training in Theory and Simulation of Materials at Imperial College London has up to four 4-year PhD studentships available for October 2015 entry. As a result of recently agreed funding from our partner organisations, these positions are fully-funded for both EU and UK candidates. The projects will all involve fundamental science inspired by applications in the oil and gas, automotive and energy sectors, and will involve close collaboration with major organisations working in these areas. Applicants should have interest and aptitude in theory and simulation and an excellent background (normally first class degree or equivalent) in Physics, Chemistry, Materials, Engineering or Mathematics. Prospective applicants are encouraged to express an interest by emailing the TSM-CDT Senior Adminis

Applications are sought for a Postdoctoral Research Associate position and a PhD position at the University of Hamburg within the excellence cluster “Center of Ultrafast Imaging (CUI, http://www.cui.uni-hamburg.de/ en/ )”. The successful candidate will work in the group of Prof. Gabriel Bester, “Theory of nanoscopic systems” ( http://www.chemie.uni- hamburg.de/pc/bester/index_e. html ). The candidate will carry out theoretical research in the field of nanoscale systems at the crossroads of physics, chemistry and biochemistry. Specific tasks will involve the development of ab-initio methods for electronic structure calculations for systems consisting of 10^4-10^5 atoms. The research focus will be the further development and application of our excited-state methods (a combination of DFT, semi-empirical quasiparticle correction and screened CI) for the calculation of excitonic/optical properties, for extended systems (see http://www.chemie.uni-hamburg. de/pc/publikationen

The Pfaendtner research group ( prg.washington.edu ) has an immediate opening for a postdoctoral scholar. The research area is in modeling of complex reaction networks using enhanced sampling and ab initio molecular dynamics. The ideal candidate will have published experience using both 1) enhanced sampling algorithms and 2) ab initio dynamics methods and modern codes such as CP2K, VASP or CPMD. The candidate should also have an interest in application of data science methodologies to molecular simulation results. The initial appointment is for a period of one year and the contract is renewable for a total term of up to three years, pending satisfactory research progress. Interested applications should send a cover letter and CV to Jim Pfaendtner ( jpfaendt@uw.edu ). Please include the names of up to three references in the CV. http://psi-k.net/jobs/postdoc- in-reaction-network- theoryprediction-seattle-wa

We invite applications for a joint postdoctoral position at the University of Wisconsin – Madison with Professor Paul Voyles and Professor Dane Morgan in the Department of Materials Science and Engineering. We are looking for someone to help us develop and apply transformative tools for structure determination. You will work with a world-class team developing our Universal Structure Identification Toolkit (USIT), which integrates advanced modeling of experiments (STEM, X-ray scattering), molecular simulations, and cutting edge numerical optimization to yield full three dimensional atomic scale structures. You will use this toolkit to determine structures and structure-property relationships of advanced materials in such areas as bimetallic nanoparticle catalysts, spintronic heterostructures, and amorphous alloys. The work is part of active collaborations with top modeling and experimental groups and will enable career expanding interaction and collaboration with multiple resear