PhD Position in Computational Science

38 hours per week Vacancy Number: 15628 Salary: €3,204 – €4,051 gross per month Contract Duration: 4 years Application Deadline: 15 December 2026 Preferred Start Date: January 2027 (or early 2027) Job Location: Amsterdam Science Park, Netherlands Department: Computational Chemistry Group – Van 't Hoff Institute for Molecular Sciences (HIMS) ABOUT THE POSITION Are you fascinated by how electrochemical processes unfold at the nanoscale, and do you want to use advanced computer simulations to help drive the clean energy transition? Are you eager to develop and apply quantum chemical and machine-learning methods to model complex solid-liquid interfaces? Then join the Computational Chemistry Group at the University of Amsterdam! Join Our Team! The Computational Chemistry Group at the Van 't Hoff Institute for Molecular Sciences (HIMS) is looking for a motivated PhD candidate in Computational Nano-Electrochemistry. Controlling electrochemical reactions at the nanoscale is essential for next-generation energy conversion and storage technologies, such as green hydrogen production, CO2 electroreduction, and advanced batteries. In this project, you will bridge the gap between fundamental atomistic physics and real-world electrocatalysis by modeling electric double layers, charge transfer, and catalytic reactivity under operating conditions. You will work in an international, collaborative team of theoretical and computational chemists at Amsterdam Science Park, closely interacting with experimental partners within the Advanced Nano-electrochemistry Institute of the Netherlands (ANION consortium) e.g. AMOLF, University of Twente etc. ALL ABOUT THIS VACANCY THIS IS WHAT YOU ARE GOING TO DO Develop and apply multi-scale simulation workflows, combining Density Functional Theory (DFT), ab initio molecular dynamics, and machine learning interatomic potentials, to model electrochemical interfaces at the nanoscale. Investigate reaction mechanisms, solvent dynamics, and electric double-layer effects in nano-confined electrochemical systems. Collaborate closely with experimental electrochemists and catalysis researchers to validate theoretical models and guide material design. Publish your research findings in peer-reviewed journals and present your work at national and international scientific conferences. Complete a PhD thesis within four years and assist in teaching undergraduate and master’s chemistry courses and supervising student projects. THIS IS WHAT WE ASK OF YOU You hold (or are about to obtain) a Master’s degree (or equivalent) in Chemistry, Physics, Computational Science, Materials Science, or Chemical Engineering. You have a solid background in quantum mechanics, statistical mechanics, machine-learning or atomistic simulations (such as DFT, molecular dynamics, or scientific programming in Python/Linux or C++). When tackling complex scientific problems, you take initiative, think critically, and enjoy exploring creative solutions. You communicate your ideas clearly in English, both in writing and in discussions with colleagues from diverse scientific backgrounds. You enjoy working collaboratively in an international team and actively share code, methods, and insights with fellow group members. THIS IS WHAT WE OFFER YOU You will work in a supportive, open, and well-equipped research environment with access to national and local high-performance computing (HPC) facilities, regular group seminars, and hands-on mentorship tailored to your academic and career growth. EMPLOYMENT CONDITIONS A temporary contract for 38 hours per week for the duration of 4 years (the initial contract will be for a period of 18 months and after satisfactory evaluation it will be extended for a total duration of 4 years). The preferred starting date is ultimately January 2027 (or early 2027) however, for exceptional candidates this is negotiable. This should lead to a dissertation (PhD thesis). We will draft an educational plan that includes attendance of courses and (international) meetings. We also expect you to assist in teaching undergraduates and master students. SALARY AND BENEFITS The gross monthly salary, based on 38 hours per week and ranges between €3,204 (1st year) to €4,051 (last year), scale P. This does not include 8% holiday allowance and 8,3% year-end allowance. The UFO profile Promovendus is applicable. A favourable tax agreement, the ‘30% ruling’, may apply to non-Dutch applicants. The Collective Labour Agreement of Dutch Universitiesis applicable. Besides the salary and a vibrant and challenging environment at Science Park we offer you multiple fringe benefits: 232 holiday hours per year (based on fulltime) and extra holidays between Christmas and 1 January; Multiple courses to follow from our Teaching and Learning Centre; Multiple courses on topics such as leadership for academic staff; Multiple courses on topics such as time management, handling stress and an online learning platform with 100+ different courses; 7 weeks birth leave (partner leave) with 100% salary; Partly paid parental leave; The possibility to set up a workplace at home; A pension at ABP for which UvA pays two third part of the contribution; The possibility to follow courses to learn Dutch. Are you curious to read more about our extensive package of secondary employment benefits, take a look here. YOUR PLACE AT THE UvA THIS IS WHERE YOU WILL WORK You will be embedded in the Computational Chemistry Group at HIMS, an interactive team of faculty, postdocs, PhD candidates, and master’s students developing and applying novel simulation methodologies for complex molecular and material systems. Our group culture is collaborative, and curiosity-driven, with weekly group meetings and strong ties to national research networks. The Van 't Hoff Institute for Molecular Sciences (HIMS) is one of eight institutes of the University of Amsterdam (UvA) Faculty of Science. HIMS performs internationally recognized chemistry and molecular research, curiosity driven as well as application driven. This is done in close cooperation with the chemical, flavor & food, medical and high-tech industries. Research is organized into four themes: Analytical Chemistry Computational Chemistry Synthesis & Catalysis Molecular Photonics The Faculty of Science has a student body of around 8,000, as well as 1,800 members of staff working in education, research or support services. Researchers and students at the Faculty of Science are fascinated by every aspect of how the world works, be it elementary particles, the birth of the universe or the functioning of the brain. ABOUT THE FACULTY OF SCIENCE Researchers and students at the Faculty of Science are fascinated by every aspect of how the world works, whether it concerns elementary particles, the birth of the universe, or how the brain functions. The Faculty has a student population of approximately 8,000 students, as well as 1,800 staff members working in education, research, or support services. Read more about the Faculty of Science. IMPORTANT TO KNOW YOUR APPLICATION & CONTACT If you recognize yourself in the profile and are interested in the position, we look forward to receiving your motivation letter and CV. You can respond via the red button up to and including 15th December 2026. APPLICATION DOCUMENTS Please include the following documents in your application (as PDF files): A motivation letter (max. 1 page A4). Your CV, including the months (not just years) when referring to your education and work experience, including a list of publications. Contact details of at least one academic reference. A copy of your MSc diploma and academic transcripts (or a current transcript of grades if you have not yet graduated). We will review applications on a rolling basis and continue recruiting until the position is filled. In the event of equal suitability, preference will be given to the internal candidate. A knowledge security check can be part of the selection procedure (for details: national knowledge security guidelines). If you receive an error message while applying from abroad, please try again later or contact us for assistance. CONTACT FOR ENQUIRIES For questions about the position, please contact: Peter S. Rice Assistant Professor of Computational Nano-Electrochemistry Email: Acquisition in response to this vacancy is not appreciated. DIVERSITY, EQUITY & INCLUSION As an employer, the UvA maintains an equal opportunities policy. We value diversity and are fully committed to being a place where everyone feels at home. We nurture inquisitive minds and perseverance and allow room for persistent questioning. With us, curiosity and creativity are the prevailing culture. Read more. Studies show that women and members of underrepresented groups only apply for jobs if they meet 100% of the qualifications. Do you meet the educational requirements but not yet all of the requested experience? The UvA encourages you to apply anyway. Apply