PhD Fellowships in Theoretical Catalysis
Two PhD positions to advance computational catalysis of electrochemical reactions using Density Functional Theory and machine learning.
Best for:Best for recent graduates with a master’s degree in chemistry, physics, materials science, or computational chemistry, passionate about computational catalysis and electrochemical energy conversion.
Overview
The University of Copenhagen’s Department of Chemistry invites applicants for two PhD fellowships in Theoretical Catalysis. These positions are embedded within the Theory group of the Center for High Entropy Alloy Catalysis (CHEAC), funded by the Danish National Research Foundation, and the ERC Synergy project DEMI. The projects aim to discover and understand materials for catalyzing electrochemical reactions, focusing on high entropy alloys and the metastability of electrocatalysts. Applicants will conduct independent research using computational methods like Density Functional Theory, machine learning, and statistical modeling, while collaborating with international research groups. The positions offer a dynamic, interdisciplinary environment with opportunities for international collaboration and professional development.
What you'll do
- Conduct an independent research project focused on theoretical catalysis, supervised by Professor Jan Rossmeisl
- Develop and apply computational methods (e.g., Density Functional Theory, machine learning, and statistical modeling) to study electrocatalyst materials
- Collaborate with researchers at the University of Copenhagen and international partners to advance interdisciplinary research
- Complete PhD-level coursework equivalent to 30 ECTS credits (half-time equivalent)
- Participate in international research stays, preferably abroad, to broaden research experience
- Engage in teaching, knowledge dissemination, and scientific writing aimed at high-impact journals
- Prepare and defend a PhD thesis based on original research findings
Requirements
Degree required: Master of Science (or equivalent) in Chemistry, Physics, Materials Science, Nanochemistry, Solid State Chemistry/Physics, Chemical Engineering, or Computational Chemistry
Degree offered: PhD
Language: English; proficiency sufficient for academic research and daily work
Instruction: English
- Proven academic background in theoretical or computational chemistry, physics, or materials science
- Experience with Density Functional Theory (DFT) or related computational methods
- Strong quantitative and analytical skills for modeling and simulation
- Familiarity with statistical analysis or machine learning techniques
- Excellent written and verbal communication skills in English
- Ability to work independently and collaboratively in a research team
- Must have completed a master’s degree (or equivalent) in a relevant field (e.g., Chemistry, Physics, Materials Science)
- No specific nationality or residency restrictions mentioned
- No age limits or prior experience caps specified
Funding & terms
How to apply
Deadline: 2026-10-18 (GMT+2)
Submit an electronic application in English via the University of Copenhagen’s recruitment portal. Include a motivated letter of application, CV, original diplomas and transcripts (or certified copies if incomplete), publication list (if available), and reference letters (if available).
- Motivated letter of application (max. one page)
- Curriculum Vitae (CV)
- Original diplomas for Master of Science and transcript of records (or certified copies if incomplete)
- Authorized English translation of diplomas if not issued in English or Danish
- Publication list (if applicable)
- Reference letters (if available)
Contact
Create a free profile to unlock your personal match score, the full requirements, funding details and how to apply — in English or Persian.