PhD student in Molecular Modelling of Solid Polymer Electrolytes

Uppsala universitet (Uppsala University); Uppsala; On-site; SEK 30 000 - 40 000; Full time

Job summary

Un poste de doctorant à l'Université d'Uppsala dans le domaine des électrolytes pour le stockage électrochimique. Les responsabilités incluent le développement de modèles d'apprentissage automatique pour explorer l'espace de conception des électrolytes polymères. Le candidat idéal doit posséder un Master en chimie théorique avec des compétences en programmation Python et des expériences en simulations moléculaires.

Benefits

Accès à la Graduate School WISE

Opportunité de recherche dans un environnement international

Qualifications

• Master en chimie théorique ou discipline connexe.
• Compréhension des chimies physique et des matériaux.
• Compétence en Python.
• Expérience en simulations de dynamique moléculaire.

Responsibilities

• Développer des champs de force ML pour simuler des systèmes électrolytiques.
• Créer des représentations moléculaires pour les prévisions ML des propriétés des électrolytes.

Skills

Python programming

Collaboration skills

Education

Master's degree in theoretical chemistry or related fields

Tools

TensorFlow

PyTorch

GitHub

Job description

2025-06-16

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

Duties

The electrolyte is an indispensable and critical component in any electrochemical storage device. The materials discovery of electrolytes for battery applications faces an enormous challenge where the design space is highly combinatorial in chemical, compositional, and topological spaces. To tackle this outstanding challenge, computational tools powered by machine learning (ML) techniques need to be developed to explore the corresponding design space efficiently. The focus of this project will be on i) developing accurate ML force fields for simulating polymer electrolyte systems; ii) developing novel molecular representations used in ML predictions of polymer electrolyte properties. The candidate will be hosted by the TeC group (https://tec-group.github.io), which is part of the Ångström Advanced Battery Centre (ÅABC). This PhD position is part of a new 5-year NEST project, Solid Polymer ElectrolytE Discovery SPEED - https://wasp-sweden.org/nest-project-speed/, which aims to position Sweden at the forefront of materials science and AI research through collaboration between researchers at Uppsala University and Chalmers University of Technology.

This recruitment is also connected to the Wallenberg Initiative Materials Science for Sustainability (WISE, https://wise-materials.org). WISE, funded by the Knut and Alice Wallenberg Foundation, is the largest-ever investment in materials science in Sweden and will encompass major efforts at Sweden’s foremost universities over the course of 10 years. The vision is a sustainable future through materials science. The recruited early-stage researcher will also be a part of the WISE Graduate School (https://wise-materials.org/research/graduate-school/), an ambitious nationwide program of seminars, courses, research visits, and other activities to promote a strong multi-disciplinary and international network between PhD students, postdocs, researchers and industry.

Requirements

The candidate must have:

• a Master's degree in theoretical chemistry (or related disciplines) and possess a good understanding of physical chemistry and materials chemistry 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.
• must have excellent capabilities in written and oral English.
• programming skills with Python.
  
  

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

• previous experiences with molecular dynamics simulations and (periodic) quantum chemical calculations.
• previous experience with machine learning applications in molecular modelling, including experience with at least three of the following Python libraries: TensorFlow, PyTorch, JAX, RDKit.
• previous experiences with collaborative coding with GitHub.
  
  

About The Employment

The employment is a temporary position according to the Higher Education Ordinance chapter 5

• 7. Scope of employment 100 %. Starting date 2025-11-01 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

Dr. Chao Zhang, [e-mail], [phone],

Dr. Rocío Mercado Oropeza, [e-mail]

Please submit your application by July 31 2025, UFV-PA 2025/1977.

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.

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Submit your application through Uppsala University's recruitment system.

Placering: Department of Chemistry - Ångström Laboratory Omfattning: Full time Sysselsättningsgrad: 100 % Anställningsform: Temporary position Lön: Fixed salary Antal lediga befattningar: 1 Ort: Uppsala Fackliga företrädare:

• Seko Universitetsklubben [e-mail]
• ST/TCO [e-mail]
• Saco-rådet [e-mail]
  
  

Referensnummer: UFV-PA 2025/1977 Sista dag för ansökan: 31 juli 2025 Sök jobbet