Chemistry PhD Programs – 4 PhD Scholarships at Aarhus University, Denmark

    Chemistry PhD Programs - 4 PhD Scholarships at Aarhus University, Denmark

    4 PhD Scholarships in Chemistry, Computational Chemistry, Materials Chemistry, Quantum Chemistry, Memory Devices, Quantum Computers at Department of chemistry, Graduate School of Natural Sciences, Aarhus University, Denmark (Chemistry PhD Programs)


    Deadline to Apply

    May 01, 2021 (23: 59 GMT +1)


    Overview

    PositionPhD Scholarships
    No. of Position(s)4
    Research Area– Chemistry
    – Memory Devices
    – Quantum Computers
    – Computational Chemistry
    – Materials Chemistry
    ScholarshipAccording to Standard Norms
    WorkplaceDepartment of Chemistry
    Aarhus University
    Langelandsgade 140
    Building 1512-314
    DK-8000 Aarhus C
    Denmark
    Contract PeriodNot specified

    Projects

    Tracing the Atomic Motion in Phase-Change Materials – Understanding the Materials for Future Memory Devices

    Molecular quantum dynamics on quantum computers

    Developing Systematic First-Principle Force Fields

    New methods to increase the reactivity of calcined clays in calcined clay – limestone cements

    How to Apply?

    To access the application form, click the apply now link above

    Fill in the following information:

    • Personal information
    • Academic background
    • Admission
    • Financing (if any)
    • Study: In the dropdown menu you must choose the above-mentioned project you interested
      • for example “Tracing the atomic motion in phase-change materials – Understanding the materials for future memory devices
    • Source (how you found out about the call)
      • Please mention that “nViews Career”

    Next to some of the information fields you will find a number. Click on the number to get further directions on how to fill in the information field/what information is needed.

    Documents Required

    • One reference (template for references)
    • Curriculum vitae,
    • Motivation (max. 1 page)
    • Transcripts, grade point averages (weighted and unweighted), and diploma(s) for both Bachelor’s and Master’s degree. If the original documents are not in English or one of the Scandinavian languages (i.e. Norwegian, Swedish or Danish) then copies of the original documents as well as a certified English translation must be attached.
    • Project description (½-4 pages). For technical reasons, you must upload a project description. When – as here – you apply for a specific project, please simply copy the project description above, and upload it as a PDF in the application. If you wish to, you can add to this description and you can indicate an URL where further information can be found. Please note that we reserve the right to remove scientific papers, large reports, theses and the like.
    • Documentation of language skills if required.

    Documentation of language skills

    The English language requirement at the graduate school is comparable to an “English B level” in the Danish upper secondary school (“gymnasium”).

    English language qualifications comparable to an “English B level” are documented by one of the following tests:

    • TOEFL test (internet-based), minimum score: 83. The graduate school does not accept the paper-based test, nor the TOEFL ITP test. Remember to ask the test center to send your test results to Aarhus University in order to enable verification of your test results. Aarhus University’s TOEFL code is 8935.
      Currently, the TOEFL iBT Special Home Edition test (available in selected areas) will also be accepted.
    • IELTS (academic) test, minimum average score: 6.5 points
    • Cambridge English Language Assessment:
      Cambridge Certificate of Proficiency (CPE)
      Cambridge English: Certificate of Advanced English with grade A,B or C (CAE)
      Cambridge English: First Certificate with grade A (FCE)

    When to take the test and how to upload the documentation:
    The test result must not be more than two years old at the time of application.

    The English language test should be taken before applying for admission and uploaded under “language skills documentation” in the online application form.

    Note

    • Please be aware that you cannot submit the application if one or several of these documents have not been uploaded.
    • If you wish to upload more than one document under each section, you must scan/merge all documents into one large PDF file and upload this. Please note that we reserve the right to remove scientific papers, large reports, theses and the like. Instead you can indicate a URL where the information is available.
    • All information in the application must be in English or Danish, preferably English. A certified English translation is required for documents written in languages other than English or one of the Scandinavian languages (i.e. Norwegian, Swedish or Danish) languages.
    • As a minimum all applications must include (pdf-files only, max. 20 MB, no zip):
    • Check out more details at the project advertisement (Chemistry PhD Programs)

    Tracing the Atomic Motion in Phase-Change Materials – Understanding the Materials for Future Memory Devices

    Qualifications and specific competences

    Applicants to the PhD position should have a relevant Master’s degree, or in the process of gaining a Master degree, in chemistry, materials science, physics, or related fields. The candidate should have strong interest in hands-on experiments, materials synthesis, and data analysis. Some background or experience with (neutron or x-rays) scattering techniques would be appreciated. Experiences of working with amorphous materials, liquids, and thermodynamic properties are a bonus. She/he should have a high degree of motivation and can work independently. Good communication skills and teamwork spirit are required. 

    Research area and project description

    The big-data era presents many unprecedented challenges for our society. One of the most pressing challenges is the tremendous data-storage demands with their vast energy consumption. Developing new concepts of data storage devices that operate much faster and consume much less energy, is an urgency to be addressed. Phase-change materials are at the cutting edge of material research for non-volatile memories and neuromorphic computing(13). The materials such as GeSbTe can be rapidly and reversibly switched between their amorphous and crystalline states within a few nanoseconds by electrical pulses (13). The strong electrical contrast between the two states can be encoded as “0” and “1” for fast nonvolatile data storage applications. While an extremely fast crystallization on the timescale of nanoseconds is required for fast writing speeds at an elevated temperature, the amorphous state must stay stable at ambient temperature for at least 10 years for data retention(3). The greatest challenge is to understand the key physical factors that determine the phase switching kinetics in the materials.

    The goal of this PhD project is to investigate the atomic motion of phase-change materials to understand their effects on the phase switching behaviors for data storage devices.The project involves materials synthesis of both thin films and bulk samples. It will characterize the diffusion and structural relaxation of atomic rearrangements(45), which helps understand how the atomic motions determine the crystallization of the materials. It uses the state-of-the-art characterizations such as X-ray diffractions, electron microscope, calorimetry, and spectroscopy. Particularly, it takes advantage of the latest possibilities offered by large-scale facilities for neutron and synchrotron X-ray scattering at DESY (Hamburg), MLZ (Munich), MAXIV (Lund), ESRF (Grenoble), SLAC (Stanford), etc., to study the atomic scale pictures in details. These atomic-scale understandings will drive the materials innovations for data storage technologies and memory device applications.

    The PhD candidate will manage a wide range of state-of-the-art synthesis and characterization techniques and become an expert in materials structure and properties. She/he will work in an inspired international environment and have opportunities of international research stays as well as attending international conferences. The candidate will benefit from strong international collaborations and work (and network) with top scholars around the world.

    For more background of this PhD project, please visit: Amorphous Materials Laboratory

    Contacts:
    Applicants seeking further information are invited to contact:

    Assistant Professor Shuai Wei
    shuai.wei@chem.au.dk


    Molecular quantum dynamics on quantum computers

    Qualifications and specific competences

    Applicants must hold a BSc degree in chemistry or physics or nanoscience or related topics, and have a MSc or be in process of obtaining a MSc degree program in similar fields. Some prior experience with at least some of the following is necessary: quantum theory, quantum chemistry, quantum computing, coupled cluster theory, programming. A keen interest in method development is crucial. The project is a collaboration between the group of Nikolaj Zinner at Department of Physics and the group of Ove Christiansen, Department of Chemistry, both Aarhus University. The successful candidate must thrive and be able to cope with this interdisciplinarity. Start is planned for August 2021.

    Research area and project description

    In this new project the hypothesis is that quantum computing and quantum simulation can become a key enabling technology for quantum chemistry in a not very distant future. This will, however, require a dedicated effort to develop algorithms in the cross-field of chemistry and physics in order to ensure that we make optimal use of current and future quantum devices. Here, the focus is to explore the potential for attacking new problems in chemistry that are prohibitive on classical computers as the system size increases.  The balance between different quantum chemical paradigms in relation to quantum simulations will be explored, and it will be studied what core algorithms in present day quantum chemistry have superior quantum alternatives.

    Specifically we shall explore various forms of Coupled Cluster methods for use in quantum computations, and we shall consider integration in schemes employing variational quantum eigensolvers. Unique to this project, we shall address both the quantum solution of electronic structure and quantum dynamics problems. Thus, we will explore how repeated quantum computations of electronic energies by quantum computing can be used to reliably construct potential energy surfaces(PESs) bringing into play both strongly correlated electronic wave functions and machine learning approaches for PES construction. Unique to our agenda is also that we will use quantum computing to compute the quantum dynamics on such PESs using vibrational coupled cluster and time-dependent vibrational coupled cluster methods.

    Contacts:
    Applicants seeking further information are invited to contact:

    Professor Ove Christiansen, ove@chem.au.dk 


    Developing Systematic First-Principle Force Fields 

    Qualifications and specific competences

    Applicants to the PhD position should have a relevant Master’s degree, or in the process of gaining a Master degree, in chemistry, nanoscience, physics, or related fields. The candidate should have a strong interest in method development, data analysis, making new mathematical models and implementing these in computational codes. Previous experience with using ab initio electronic structure methods and programming is advantageous, but not required. The ability to work independently and having good communication skills are expected. The candidate will have the opportunity of spending time in an international research group and attending international conferences.

    Research area and project description

    Force fields are computational models of molecules that allow a computational fast evaluation of the energy for a given molecular geometry. The popular description of a force field is in terms of ‘balls and springs’, i.e. atoms represented as spheres are the fundamental building blocks, and bonds are modelled as springs. The main use of force fields is to calculate forces between molecules, as required to perform molecular dynamics simulations. This in principle allows the calculation of for example binding free energies of potential new drug molecules to a given target protein. Current production type force fields were designed three decades ago, and despite continuous parameter updates, are not capable of reliably calculating free energies with a sufficient accuracy. The goal of the project is to design a new force field derived from high level quantum mechanical results that will enable simulations to predict free energy differences of a few kJ/mol.

    The goal of this PhD project is to design and implement an improved accuracy force field and test the performance for calculating free energy differences by molecular dynamics simulations. We have developed a novel bond capacity model that enables a description of molecular polarization using only atomic charges, and this will be the corner stone in the new force field. The project will involve generation of reference data by high level ab initio methods and analyze these in order to develop and parameterize a force field that can reproduce the reference data with a sufficient accuracy.

    Contacts:
    Potential candidates are strongly encouraged to seek further information by contacting:

    Associate Professor Frank Jensen
    frj@chem.au.dk


    New methods to increase the reactivity of calcined clays in calcined clay – limestone cements

    Qualifications and specific competences

    The PhD candidate should have a Master’s (3-year PhD programme) or 4-years studies (4-year PhD programme) in chemistry, nanoscience, physics, or materials science. Knowledge about inorganic materials, cement chemistry, microscale characterization tools, and NMR spectroscopy will be considered as a plus.All highly motivated candidates are encouraged to apply, regardless of their personal background. Equal consideration will be given to all qualified applicants independent of their gender, race, and cultural background. We see diversity as a strength.

    Research area and project description

    Concrete is the world’s most durable, reliable and economical construction material with an annual consumption in volume by society only surpassed by water. Portland cement represents the “glue” in conventional concrete, and it’s very large-scale, word-wide production implies that it is responsible for 7 – 8 % of the man-made CO2 emissions. The CO2 emission originates from decomposition of limestone (CaCO3) and combustion of fuels for heating the cement kilns. An urgent challenge for the cement industry is to reduce these CO2 emissions in order to meet the goals for a sustainable society and at the same time fulfil the increasing demands for cement materials in the future. Recent research has shown that a significant reduction in CO2 emission (+30%) can be achieved by partial replacement of the Portland clinkers with calcined clays in combination with limestone. The application of calcined clays in such blended cements has the advantage that clay minerals are widely available almost all over the world and their thermal activation requires temperatures that are much lower than those used for clinker production.

    The PhD project is a part of a larger R&D program funded by Innovation Fund Denmark, and it will involve collaborative research with Cementir Holding/Aalborg Portland A/S, the Technical University of Munich and the Danish Technological Institute. Moreover, a number of concrete producers and consumers take part in the programme, and a demonstration of the improved CCL cement on the industrial scale is a common goal for the overall project. The PhD project will focus on basic properties which affect the reactivity of calcined clays and their interactions with chemical additives in CCL cements. Solid-state NMR spectroscopy will be a main technique in the PhD project as it allows detection and structural analysis of the amorphous calcined clay and its reactivity in blended cements. However, a range of other analytical tools will be employed in parallel and some of the activities of the project will be carried out at Cementir’s research centre in Aalborg.

    Contacts:
    Applicants seeking further information are invited to contact:

    Assoc. Prof. Jørgen Skibsted
    e-mail: jskib@chem.au.dk
    phone +45 2899 2029

    Check out other Chemistry PhD Programs at GSNS – May 2021

    Post expires at 8:59am on Sunday May 2nd, 2021 (GMT+9)