computational materials science phd positions

We have 137 computational materials science PhD Projects, Programmes & Scholarships

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computational materials science PhD Projects, Programmes & Scholarships

Integrated data driven materials modelling of interfaces for sustainable applications, phd research project.

PhD Research Projects are advertised opportunities to examine a pre-defined topic or answer a stated research question. Some projects may also provide scope for you to propose your own ideas and approaches.

Funded PhD Project (UK Students Only)

This research project has funding attached. It is only available to UK citizens or those who have been resident in the UK for a period of 3 years or more. Some projects, which are funded by charities or by the universities themselves may have more stringent restrictions.

Acoustical Properties of Meta-Materials

Self-funded phd students only.

This project does not have funding attached. You will need to have your own means of paying fees and living costs and / or seek separate funding from student finance, charities or trusts.

Computational Framework for Sustainable Materials, Manufacturing, Energy, and AI Driven Simulations

Physics-based multi-scale modelling of multi-material additive manufacturing, computational modelling of two-dimensional graphene-based materials, epsrc centre for doctoral training in aerosol science, funded phd programme (european/uk students only).

Some or all of the PhD opportunities in this programme have funding attached. It is available to citizens of a number of European countries (including the UK). In most cases this will include all EU nationals. However full funding may not be available to all applicants and you should read the full programme details for further information.

EPSRC Centre for Doctoral Training

EPSRC Centres for Doctoral Training conduct research and training in priority areas funded by the UK Engineering and Physical Sciences Research Council. Potential PhD topics are usually defined in advance. Students may receive additional training and development opportunities as part of their programme.

AI-directed discovery of self-assembled peptide-peptoid acoustics materials

Computer aided discovery of porous materials for the purification of fullerene adducts, funded phd project (students worldwide).

This project has funding attached, subject to eligibility criteria. Applications for the project are welcome from all suitably qualified candidates, but its funding may be restricted to a limited set of nationalities. You should check the project and department details for more information.

Manipulation of the Polarization in Ultrathin Ferroelectrics

Phd position in materials informatics, investigation of hydrogen embrittlement of steels for the hydrogen transport energy future, putting a brain in the mobile robotic chemist, the hydrogen embrittlement mechanism of aluminum alloys, developing hydrogen storage materials using advanced manufacturing methods, discovery of functional inorganic materials for net zero applications using high-throughput synthesis.

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556 computational-materials-science PhD positions

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PhD Scholarship for Designing Electrocatalysts using Materials Informatics

PhD project to develop theoretical computations and modelling methods to guide and optimise the synthesis conditions and composition of electrocatalysts. PhD project to develop theoretical

PhD Scholarship & CSIRO Top-up in Computational Materials Chemistry/ Physics

are highly toxic and can only be reliably tested at >1ppm levels. To overcome this limitation, new sensing materials such as 2D materials and their heterostructures will be investigated to enable ppb level

PhD Studentship: Investigation into the Impact of Material Properties on the Gas Transport Behaviour of Polyolefin Materials

once deadline passes. You will need to meet the minimum entry requirements for our Engineering Materials PhD programme . Candidates must meet Surrey graduate entry requirements which include holding

PhD Position in Machine Learning (LLMs) & Computer Simulation

of Materials Systems Modeling of the Helmholtz-Zentrum Hereon is offering a 4-year PhD position in the area of machine learning and computer simulations . The focus of the PhD project will lie on developing novel

PhD student position on “Topological materials at the nanoscale”

We are seeking an enthusiastic PhD candidate to join our topological materials team at IBM Research – Zurich. The candidate will enroll in the PhD programme of ETH, Switzerland, while doing

POSTDOCTORAL RESEARCH ASSOCIATE IN THEORETICAL CHEMISTRY GRADE 7

computer codes to solve some of the daily research problems and have experience with high performance computing . You should have a PhD in Chemistry, Physics or Materials Science with a proven research track

POSTDOCTORAL RESEARCHER IN SOLID-STATE NMR SPECTROSCOPY FOR MATERIALS CHEMISTRY GRADE 7

understanding of materials chemistry by the project and international team. The team works across experimental and computational NMR so you will have the opportunity to assimilate new developments across sub

Ph.D. positions in Electrical and Computer Engineering – Spring /Fall 2025 Admission

The Department of Electrical and Computer Engineering has multiple opportunities for students to embark on a fully funded Ph.D. journey within a research-intensive institution. Our students work

PhD fellowship in Physics - PhD Project in Computational Modelling of Active Oriented Materials

Niels Bohr Institute Faculty of SCIENCE University of Copenhagen The Niels Bohr Institute, Faculty of Science at University of Copenhagen invites applicants for a PhD fellowship in computational

Fully funded PhD Positions (Doctoral Researcher m/f/d) | Condensed Matter Science

application Applicants should hold an MSc (or equivalent degree) with a strong background in physics, chemistry, mathematics , and material or computer science . The deadline of the current call is September 30

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PhD student in Computational Materials Chemistry

The Department of Chemistry - Ångström conducts research and education in the chemistry field. The department has more than 270 employees and has a turnover of 300 million SEK. At the department's six programs, we conduct very successful research of a high international standard. We have a large number of externally funded research projects, often with international cooperation and we see continued good growth in our subject area. The department has education assignments in engineering programs and master's programs. More information is available on our  website : ( https://kemi.uu.se/angstrom/?languageId=1 ).

Read more about our benefits and what it is like to work at Uppsala University

This PhD position is part of the eSSENCE graduate school in data-intensive science in collaboration with STandUP for Energy . The school addresses the challenge of data-intensive science both from the foundational methodological perspective and from the perspective of data-driven science applications. It is an arena where experts in computational science, data science and data engineering (systems and methodology) work closely together with researchers in (data-driven) sciences, industry and society to accelerate data-intensive scientific discovery.

eSSENCE is a strategic collaborative research programme in e-science between three Swedish universities with a strong tradition of excellent e-science research: Uppsala University, Lund University and Umeå University.

STandUP focuses on long-term sustainable energy supply, one of the greatest global challenges in the next decades. The groups within STandUP envision a future society that is provided with renewable, highly reliable and cost-efficient energy for all its residential, commercial, transportation and industrial needs.

Duties We are looking for a motivated and ambitious student for theoretical studies of ion transport in solid-state battery materials. For this purpose, the main focus is to develop a multiscale computational framework for modelling ion-conductivity in complex battery materials. This framework will be used to carry out a high-throughput screening where a large number of hypothetical materials will be studied by systematically varying its composition. The large amounts of data provided by the screening will be used to decipher important connections between material structure and conductivity by using advanced data-mining strategies and machin-learning.

The main duties of doctoral students are to devote themselves to their research studies which includes participating in research projects and third cycle courses. The work duties can also include teaching and other departmental duties (no more than 20%).

Requirements The candidate must have:

• been awarded a second-cycle qualification, or
• have completed at least 240 credits in higher education, with at least 60 credits at Master’s level including an independent project worth at least 15 credits, or
• acquired essentially equivalent knowledge in some other way in Sweden or abroad.
• very good oral and written proficiency in English.
• degree or equivalent as above in Chemistry, Physics, Materials Science or Data Science.

Consideration will also be given to good collaborative skills, drive and independence, and how the applicant’s experience and skills complement and strengthen ongoing research within the department, and how they stand to contribute to its future development.

Additional qualifications A background within material science is desired, with Physics and/or Chemistry specialization as is strong data handling and programming skills, and experience of using computational tools for materials modelling. Experience of electrochemistry and batteries is valuable.

  About the employment The employment is a temporary position according to the Higher Education Ordinance chapter 5 § 7 . Scope of employment 100 %. Starting date 2025-01-01 or as agreed. Placement: Uppsala

Rules governing PhD students are set out in the Higher Education Ordinance chapter 5, §§ 1-7 and in Uppsala University's rules and guidelines .

For further information about the position, please contact:

Amber Mace ([email protected])

Please submit your application by 31 October 2024, UFV-PA 2024/3219.

Are you considering moving to Sweden to work at Uppsala University? Find out more about what it´s like to work and live in Sweden.  

Uppsala University is a broad research university with a strong international position. The ultimate goal is to conduct education and research of the highest quality and relevance to make a difference in society. Our most important asset is all of our 7,600 employees and 53,000 students who, with curiosity and commitment, make Uppsala University one of Sweden’s most exciting workplaces.

Read more about our benefits and what it is like to work at Uppsala University https://uu.se/om-uu/jobba-hos-oss/

The position may be subject to security vetting. If security vetting is conducted, the applicant must pass the vetting process to be eligible for employment.

Please do not send offers of recruitment or advertising services.

Submit your application through Uppsala University's recruitment system.

• Seko Universitetsklubben  [email protected]
• ST/TCO  [email protected]
• Saco-rådet  [email protected]