Lowongan beasiswa S3 terkait komputasi material
    Oleh : Gagus K.
    Rabu, 29 November 2017 (07:27 WIB) dari IP

    PhD position on TeraHertz quantum simulation of displacement current
    TeraHertz quantum simulation of displacement current
    We are seeking candidates for a PhD position between physics and computational electronics. The PhD student will work on the simulation of displacement current in many-body quantum systems through the use of Monte Carlo quantum (Bohmian) trajectories. The results of the simulation will be used to design novel TeraHertz electronic devices.
    The most relevant details of the grant are the following:
    1.- The PhD position will be funded by the EC’s Horizon 2020 Marie Skłodowska-Curie: “Doctoral Training Network in Terahertz Technologies”
    2.- The PhD grant will start as soon as possible after January 1st , 2018.
    3.- The PhD is granted for 36 months and the language is English.
    4.- The PhD will receive a gross salary of ≈ 2.500-3.000 € / months (depending on family situation).
    5.- The candidate must be in the first four years of their research careers and without a doctoral degree.
    6.- The candidate must NOT have resided in Spain for more than 12 months in the 3 years prior to their recruitment.
    Those interested please send a detailed CV as soon as possible to Xavier Oriols by E.mail xavier.oriols@uab.es

    Joint PhD Studentship: DFT-based Simulations of Energy Materials and Quantum Computer Materials, Hong-Kong & Taiwan
    Joint PhD Studentship: DFT-based Simulations of Energy Materials and Quantum Computer Materials, Hong-Kong & Taiwan
    Project 1 description (Catalyst):
    Metal catalysts applied on fuel cells will be computed by using density functional theory, such as VASP code. The research highlights are :
    1) Oxygen adsorption on bimetallic catalysts
    2) Oxygen reduction reactions; search for transition states
    3) Hammer Nørskov d-band model
    4) catalyst design
    Project 2 description (Quantum Computer Materials):
    The aim of the project is to develop methods and study paramagnetic color centers in diamond and related wide band gap materials by means of
    first-principles calculations. The research highlights are :
    1) Identification and characterization of color centers in diamond and related wide band gap materials.
    2) The electronic structure and the fine magnetic properties of the appropriate color centers will be determined by density functional theory methods.
    3) The effect of surface functionalization on diamond and related wide band gap materials.
    Studentship Details:
    The student will spend 1.5 years at NTHU, Taiwan under the supervision of Prof TY Chen and HY Chen, who has considerable experience in the field of computational heterogeneous catalysis. In the following 1.5 years at the City University of Hong Kong, the student will work with Dr A Hu and
    Dr JP Chou.
    Major responsibilities
    The main responsibilities are to pursue your doctoral studies. A successful student is expected to develop scientific concepts and communicate the outcomes verbally and in writing and gain the necessary skills to pursue a career in the future.
    Position summary:
    Full-time temporary employment. The position is limited to a maximum of 3 years of studies.
    The successful candidates should have:
    (1) Excellent communication skills in written and spoken English, i.e., TOEFL (over 79, internet based) or IELTS (6.5 or above); or other test scores (like band 6 in the Chinese mainland's College English Test, with a minimum score of 490) that may be regarded as equivalent.
    (2) Master of Science in Physics, Chemistry or Materials Science
    (3) Able to work independently and take responsibility for progress and quality of the projects
    (4) Experience in computational/theoretical physics or chemistry or Material Science
    (5) Basic concepts in quantum mechanics
    Application procedure
    Application materials should be sent electronically and be attached as compressed (zipped) pdf-files, as below:
    • (Required) CV
    • (Optional) Personal Statement (1-3 pages where you introduce yourself, motivation of applying for this position, present your qualifications, future goals...)
    • (Optional) Research Plan/Focus.
    • (Optional) Previous research fields and main research outcomes. Copies of bachelor and/or master’s thesis.
    • (Optional) Attested copies and transcripts of completed education, grades and other certificates, eg. TOEFL test results.
    • (Optional) Two references that we can contact.
    Starting Term: Spring 2018 or Fall 2018
    Funding Notes: Contact Employer
    Dr. Jyh-Pin Chou jpchou@cityu.edu.hk
    (Department of Mechanical and Biomedical Engineering, City University of Hong Kong)
    Prof. Tsan-Yao Chen chencaeser@gmail.com
    Prof. Hsin-Yi Chen, Tiffany hsinyi.chen@mx.nthu.edu.tw
    (Department of Engineering and System Science, National Tsing Hua University, Taiwan)
    Interested candidate please send your CV directly to jpchou@cityu.edu.hk and hsinyi.chen@mx.nthu.edu.tw

    PhD studentship “First principles molecular dynamics simulation of electron transfer across solid/liquid interfaces” – UCL
    A PhD studentship is available to work under the supervision of Professor Jochen Blumberger at the Condensed Matter and Materials Physics Laboratory, University College London, UK. The project involves the development and application of first principles molecular dynamics methods for the simulation of electron transfer across solid/liquid interfaces. Such reactions are at the heart of pressing societal and environmental issues such as artificial photosynthesis and solar fuel production, decontamination of soil and geochemical transformations. In the project we will adopt and further develop a dedicated density functional theory-based method to compute the parameters governing electron transfer reactions between redox active solvated species and semiconducting electrode materials. This will give us access to a detailed atomistic understanding of the thermodynamics, kinetics and mechanism of interfacial redox processes underpinning the rational design of improved electrode materials for energy applications and the geochemical cycling of metal ions. Access to high performance computing facilities will be provided. Interested candidates may want to take a look at recent group publications in the field, listed on the group website http://www.blumberger.net.
    Highly motivated students from Physics, Chemistry or Materials Science Departments are strongly encouraged to apply for this post. Due to funding restrictions only UK or EU citizens are eligible to apply. The candidate should have, or be about to receive, an honours degree (at least II.1 or equivalent) in Physics, Chemistry or a related subject. Good knowledge in quantum mechanics and statistical mechanics is expected and interest in writing computer code and shell scripts is an advantage. Some experience with molecular simulation is desirable, but not essential. The studentship will cover all university fees and includes funds for maintenance at the standard EPSRC rate. The studentship will start 1. October 2018.
    Applications should include (i) a motivation statement (250 words max) briefly describing any previous research projects you worked on and why you would like to apply for this post (ii) a CV (2 pages max) including publications (if any) (iii) transcripts of undergraduate (Bachelor) and graduate (Master) studies (iv) names, contact details and email addresses of 2 referees. Please send these four application documents as a single zip file to Jochen Blumberger, j.blumberger@ucl.ac.uk specifying in the subject line “PhD application”. Candidates are advised to apply as early as possible as the selection process will commence immediately and continue until a suitable candidate is found. All applications received until 31. December 2017 will be considered.
    Informal enquiries regarding the vacancy can be made to Jochen Blumberger, j.blumberger@ucl.ac.uk. For any administrative queries regarding the application process, please contact James Gane, james.gane@ucl.ac.uk.

    PhD studentship in Computational Materials Discovery available immediately, UCL, London
    Applications are invited for a 4 year PhD position to work in the group of Professor Furio Cora, Ben Slater and Dr Martijn Zwijnenburg in the Department of Chemistry at University College London. The project is adjunct to a prestigious EPSRC Programme Grant(led by Prof Matt Rosseinsky FRS and Prof Andy Cooper FRS at the University of Liverpool), to work in a multidisciplinary team and develop integrated computational/experimental approaches to materials discovery. The project will focus in particular on the application of quantum chemical methods to study new functional materials and their properties, develop descriptors for accelerated computational screening, and liaising with colleagues in Liverpool to integrate the computational work with synthesis and measurement studies. The specific area of current research concerns advancing the thermoelectric figure of merit of complex solids through computational evaluation of known and virtual materials, and developing new descriptor-based and potentially machine learning approaches.
    Informal enquiries should be addressed to Professor Furio Cora (f.cora@ucl.ac.uk) or Prof Ben Slater (b.slater@ucl.ac.uk). Any queries on the application process can be directed to Jadranka Butorac j.butorac@ucl.ac.uk, as we wish to encourage online applications.

    15 contract-funded PhD positions in Ultrafast Science in Hamburg
    Dear Colleagues,
    may I bring to your attention the new call for
    15 contract-funded PhD positions in Ultrafast Science in Hamburg
    The International Max Planck Research School for Ultrafast Imaging & Structural Dynamics is looking for excellent PhD candidates to apply for PhD positions in Ultrafast Science: http://www.imprs-ufast.de (deadline: 15th December 2017)
    We would highly appreciate if you could forward it to your colleagues, students and collaborative institutes that work in the field.
    Thank you very much for your support!
    Julia Quante
    PhD student position in computational materials physics at NJIT
    A PhD student position is available in Professor Beth Nowadnick’s research group in the Department of Physics at the New Jersey Institute of Technology (NJIT) in the area of materials physics. The research project will utilize density functional theory simulations to investigate structural, electronic, and magnetic properties of complex oxides. The start date is summer/fall 2018.
    The Nowadnick research group uses theory and simulation to elucidate and engineer the properties of structurally and electronically complex oxides, such as ferroelectrics, charge/orbital ordered systems, and quantum magnets. We are particularly interested in systems where multiple structural and/or electronic order parameters are active, giving rise to novel properties or functionality. The group uses a combination of density functional theory, group theoretic methods, and model Hamiltonian-based approaches. More information can be found at: https://web.njit.edu/~bethn/
    More information on the Department of Physics at NJIT: https://physics.njit.edu/
    Interested candidates are encouraged to contact Prof. Nowadnick at bethn@njit.edu prior to formally submitting an application to NJIT. In the email, please include a brief description of your research interests and attach a CV.
    Applications must be submitted to the NJIT PhD program in Applied Physics at https://apply.njit.edu/. The application deadline is December 15, 2017.
    The New Jersey Institute of Technology is located in downtown Newark, NJ. Newark hosts several higher education institutions, leading companies, and cultural venues. It is also well connected by public transit to the surrounding area, and is a 20-minute train ride from downtown New York City.

    PhD Position at the Hamburg University of Technology in the field of supercapacitor modelling available
    At the Institute of Polymers and Composites, a 3-year temporary position for a research assistant (salary group TVL-13, full-time employment) is to be filled at the earliest opportunity.
    We are looking for enthusiastic, motivated, creative and independent candidates with critical thinking skills. The candidate's previous knowledge should include knowledge of scientific computing, numerical methods and their application in the fields of materials science, chemistry or physics. Programming skills (Python, Fortran or C++) are also welcome. The position can also be filled by scientists who have already obtained a doctorate in one of the fields of study. We are open to different academic backgrounds at the doctoral level, while at the postdoctoral level the demands on the scientific background are more focused.
    For the achievement of the goals of the energy turnaround, new types of energy storage, e. g. for the short-term storage of energy from overproduction, triggered by fluctuations in radiation intensity or wind force, are of fundamental importance. Supercapacitors based on hierarchical carbon can be modified very economically in a variety of ways and adapted to the required parameters for optimizing the storage capacity - an important requirement for an electrode material of the future. The influence of carbon hybridisation, porosity, contamination or the electrolyte used on the storage capacity are not sufficiently understood to enable a knowledge-based design. Molecular-dynamic simulations will be used to investigate the underlying fundamental mechanisms of energy storage in supercapacitors and draw conclusions from them that allow an optimized design of the electrode material and electrolyte in a holistic concept and thus enable the matching of the two through a knowledge-based design. Of great interest in this context is also the investigation of membranes based on multi-walled carbon nanotubes for the generation of energy from salt and fresh water. In addition to the electrical properties, the mechanical properties of hierarchical carbon materials should be investigated. The integration of experiments and simulations through close cooperation with the institute's analytical and manufacturing department, using the excellent expertise of the institute in the production of hierarchical carbon structures, is of great importance for this project.
    The funding of this project requires student supervision and teaching support.
    Further Information (in German) can be found under: https://intranet.tuhh.de/aktuell/stellen/stelle.html?kenn_nr=H-17-191
    Informal enquiries can be directed to Prof. Dr.-Ing. Robert Meißner (robert.meissner@tuhh.de)
    Applications with a curriculum vitae in table form and the usual documents must be sent by 21.11.2017 stating identification number H-17-191 to
    Hamburg University of Technology
    Personnel Section PV32/G -
    21071 Hamburg
    Or by e-mail to geschaeftsstellepv32@tu-harburg.hamburg.de
    PhD Student for Materials Modeling (m/f) at OSRAM OS: Modeling of silicones, their interaction with light, and different sources of degradation

    PhD position at OSRAM Opto Semiconductors (OSRAM-OS) in Regensburg, Germany
    OSRAM-OS is one of the world's leader manufacturers of optoelectronic semiconductors. At our production sites in Europe, the USA, and Asia we create innovative solutions in the fields of lighting, sensor technology and visualization.
    The PhD program focuses on the development and validation of an ab initio multi-scale approach to deal with realistic package materials used in LED technology.
    Interested in this position? If so, please look at the attached file (German/English) for more details and apply online in our job portal:
    For further information, please contact:
    Johanna Sieber (Johanna.Sieber@osram-os.com)
    Dr. Harald Laux (Harald.Laux@osram-os.com) Tel: +49 151 276 23 935
    Dr. Sebastián Alarcón Villaseca (Sebastian.Alarcon-Villaseca@osram-os.com)
    PhD position at University Duisburg-Essen: DFT studies of oxide interfaces
    A PhD position is available at the U Duisburg-Essen in the area of first principles modelling of novel electronic phases at oxide interfaces relevant for electronics, spintronics and energy conversion applications. Main focus of research is the investigation of topologically nontrivial states, nanoscale themoelectric materials and electronic excitations at metal/metal oxide interfaces based on density functional theory and beyond. The research will involve intensive collaborations with experimental groups within collaborative research programs SFB/TRR80 and SFB1242.
    We invite applications from highly qualified and motivated individuals with Master of Science degree in physics, materials science or chemistry. Prior experience with density functional theory methods is desirable, experience with time-dependent DFT, many body techniques such as GW or DMFT and strong computer programming skills will be an advantage. Further requirements include good written and oral communication skills in English, ability to work independently and to cooperate with both theoretical and experimental partners.
    The salary is based on 6713 TV-L. The Faculty of Physics of the U Duisburg Essen has strong tradition in condensed matter theory and experiment, magnetism and surface science. The campus is located in a green residential area of Duisburg, North Rhine Westfalia, in proximity to further big cities, e.g. Düsseldorf, Essen and Cologne.
    Please send your application (including a one-page cover letter addressing your research interests and motivation, curriculum vitae, copies of Master/BSc certificates and contact information of two references) to Prof. Dr. Rossitza Pentcheva (sekretariat-AGPentcheva@uni-due.de). Evaluation of candidates will start immediately and continue until the position is filled.

    PhD position at the Physics Department of the Humboldt-Universität zu Berlin
    A three-years position for a doctoral candidate is available in the group of Prof. Caterina Cocchi (Physics Department, Humboldt-Universität zu Berlin) to work on the project “Fundamentals of Molecular Electrical Doping of Organic Semiconductors (FoMEDOS)” financed by the German Research Foundation (DFG). This research will be carried out in collaboration with experimental partner groups in the Berlin area. Details about the project can be found here: http://gepris.dfg.de/gepris/projekt/286798544.
    The ideal candidate has a Master Degree (or equivalent) in Physics, Chemistry, Materials Science, or related disciplines, and is familiar with density-functional theory (DFT) and/or quantum-chemistry methods. Experience with time-dependent DFT and/or many-body perturbation theory (GW and the Bethe-Salpeter equation) in the field of theoretical spectroscopy is considered a plus. Knowledge of at least one scientific programming language is requested along with good oral and written communication skills in English.
    For any further information, you may visit the group's website https://www.physik.hu-berlin.de/en/eos and contact Prof. Caterina Cocchi.
    How to apply: Please send to Prof. Caterina Cocchi (caterina.cocchi@physik.hu-berlin.de) your full CV (including education, thesis title, and final grades), your list of publications and conference contributions, the contacts of at least two references, and a motivation letter (maximum 1 page) with the statement of your research and a convincing explanation of your interest in the offered position.
    The position is available immediately. Applications will be considered and evaluated from now until the position is filled.

    PhD student positions in physics at EPFL
    Two PhD student openings are available in the group of Prof. Oleg Yazyev at the Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), Switzerland. Both PhD projects will focus on numerical simulation of the electronic transport phenomena in nanostructured and disordered graphene. The applicants should have a Master degree in physics or equivalent, experience in carrying out analytical work, programming and performing electronic structure calculations. Interested applicants should send their (1) application cover letter, (2) CV including publication list and (3) the contact information of their references to Prof. Oleg Yazyev . Evaluation of candidates starts immediately and continue until the positions are filled.
    Additional information on the group [http://c3mp.epfl.ch/].
    Information on the doctoral program in physics at EPFL [http://phd.epfl.ch/EDPY].
    PhD position Lyon, France: Modelling electro-thermal energy transport in nano-devices for cooling applications
    The phD offer is part of an European project gathering theoreticians and experimentalists, all experts in nanoscale thermal and electronic transport. This project tackles innovative non-equilibrium energy management technologies for ultra sensitive infrared detectors, efficient harvesters and compact coolers for information and communication technologies (ICT). At the limits of heat management, the performance of electrothermal energy devices are limited
    by near field heat flux and electronic and thermal energy fluxes at the molecular length scales. A theoretical understanding of the individual non-equilibrium energy/particle channels and inter-channel couplings is essential to imagine new and efficient thermal management devices. We plan to address non-linear transport in molecular junctions starting from state-of-the-art theoretical modelling. This project combines synergies in theory, experiment and technology-development covering different fields from chemistry to physics and electronics.
    The successful candidate will investigate the electro-thermal transport properties of molecular junctions, in relation with the experimentalist partners of the project, in Germany, United Kingdom and Switzerland. Interactions with researchers working at the CETHIL, INSA Lyon will also be conducted all along the project.
    Molecular dynamics (MD), which offers the possibility to probe phonon thermal transport across the molecule, as a function of the junction length. We will also quantify the importance of non-equilibrium effects and compare the out-of-equilibrium conditions to Landauer-Büttiker estimations. Inelastic transport and non-linear response will be included on different levels, in systematic and consistent way using non-equilibrium MD.
    The successfull candidate should hold a Master degree in Physics, Chemistry or Material Science. He/she should have a pronounced taste for theoretical modelling, good knowledge of basic programming and very good communication skills in English (oral and written). The successfull candidate will work at the Institute Lumière Matière in Lyon, in the team «Modélisation de la matière Condensée et Interfaces».
    Interested candidates should send a resume, marks and ranking in the Master degree, a letter of motivation, at least one letter of recommendation and the names and contact of two scientific referents in a single pdf document to Thomas Niehaus (thomas.niehaus [at] univ-lyon1.fr) and Samy Merabia (samy.merabia [at] univ-lyon1.fr ). Inquiries about the post are welcome. This fully funded position is intended to start early 2018. The consideration of candidates starts immediately until the position is filled.

    PhD studentship on semiconductor defects, CEA-Grenoble (corrected contact information)
    A three year studentship is available towards the completion of a PhD degree in the area of theoretical and computational materials physics. The candidate will carry out a large-scale computational ab initio screening of defects in semiconductors, with the goal of inter-relating growth conditions, defect types and concentrations, and functional transport properties. This will lead to establishing a novel understanding of materials according to their prevalent defect types, and characteristic relationships between them and their functional properties. Innovative machine learning classification and regression algorithms will be used to unveil hidden trends and relationships and to accelerate the screening process. The project is expected to have a direct impact in the industrial development of new functional materials.
    This position is based in Grenoble at N. Mingo’s group, in close collaboration with the group of G. Madsen in Vienna. The research also involves close interaction with the Center for Materials Genomics at Duke University led by Prof. S. Curtarolo. Further information about the group’s activities can be found on our website.
    The city of Grenoble is located at the foot of the French Alps, being well connected to international destinations. Grenoble is an important European scientific center and it enjoys a rich cultural and natural environment.
    Required qualifications:
    MSc in physics, chemistry, materials science, or related discipline. An interest in theoretical modeling and programming. Proven programming experience is a plus.
    To apply:
    Send a full CV, a cover letter describing research interests and relevant experience, and the contact details for persons who could provide letters of recommendation, to natalio.mingo@cea.fr and ambroise.vanroekeghem@cea.fr . The call for applications is open until December 15th, 2017, and the position will be filled as soon as a suitable candidate is selected.

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