Postdoc on Quantum Bayesian Optimization for Molecular and Material Design

Are you passionate about exploring the potential of Quantum Computing for Machine Learning in Molecular and Material applications? Do you enjoy doing cutting-edge research at the crossroads of Informatics, Physics, and Molecular Sciences?

Working at the UvA Join Us! In this pivotal postdoctoral position, you will explore and realize the potential of Quantum Computing to improve Machine Learning models to accelerate atomistic simulation and model molecular and material properties. You will focus on Quantum Optimization and in making the complexity of Quantum Circuits tractable, but you will be free and encouraged to propose and pursue novel directions. You will collaborate closely with the Quantum initiative of the Molecular and Material Design (MMD) technology hub, as well as with the Quantum Computing division of SURF and with the Dutch Institute for Emergent Phenomena (DIEP). You will be embedded in the Computational Soft Matter (CSM) Lab, a joint initiative of the Institutes of Informatics (IvI), Physics (IoP) and Molecular Sciences (HIMS).

• A good salary Your salary will be determined on the basis of your experience and seniority, in accordance with the Labour agreement. Your grading and therefore the amounts mentioned are based on full employment of 38 hours per week.
• 232 vacation hours We also offer parental leave, partner leave and social engagement leave. Through the Employment Conditions Menu Card, there are opportunities for even more vacation hours.
• Financial arrangements On top of your salary, you receive holiday allowance (8%) and a year-end bonus (8.3%). You build up a good pension with ABP. And in addition, we offer many other allowances and schemes.
• Career development and room for growth The UvA encourages you to continue to professionalise through training courses and open UvA lectures.
• Family matters Relocating to the Netherlands with your family? Find out about daycare, schooling, health insurance or employment options and support for your partner or spouse. Including the IDCN-network which provides support for your spouse through various training sessions, social activities, and networking events.

All About This Vacancy This is what you will do You are expected to conduct original and fundamental research at the intersection of Quantum Computing, Statistical Physics, Atomistic Modelling, Machine Learning and Bayesian Optimization methods.

Designing and modelling novel molecules and materials with tailored properties requires exploring prohibitively vast combinations of elemental compositions and configurations. This project focuses on implementing combined Quantum and Classical Computing pipelines to accelerate atomistic simulations and optimize molecular and material properties. You will have a unique chance to put your expertise and creativity into practice, and you will be surrounded and supported by a rich environment with experts in Quantum Computing, Minimally Complex Models, Atomistic Modelling, etc.

Tasks and responsibilities:

• conducting independent research in quantum Bayesian optimization and its applications to molecules and materials, resulting in academic publications in peer-reviewed international journals, presentations at national and international conferences, etc.;
• contributing to internal seminars, symposia, and similar knowledge transfer activities, as well as their organization at the different affiliations related to the position.
• actively collaborating within the MMD technology hub, and with the Computational Chemistry group at HIMS, the Computational Science Lab at IvI, and experimental groups at HIMS and IoP.

You will also be provided with opportunities to be involved in:

• supervising Bachelor and Master theses in varied disciplines;
• contributing to research schools, teaching efforts, tutorials, guest lectures, etc.

What We Ask Of You You are a resilient, creative researcher with strong technical knowledge. You feel comfortable working on unexplored topics with limited literature. You enjoy working across disciplines and you communicate well with diverse teams. You value and balance both independence and collaboration.

Your Experience And Profile

• PhD in Quantum Computing, Computational Chemistry/Physics, Machine Learning, Statistical Inference or affine fields;
• committed researcher, demonstrated by publications in international refereed academic journals and academic publishers;
• readiness to participate in interdisciplinary cooperation;
• professional command of English

It is a preference if you have experience in two or more of the following fields: Quantum Computing, Machine Learning, Statistical Inference, Atomistic Modelling.

This Is What We Offer You We offer a temporary employment contract for 38 hours per week for a period of 18 months {with a probationary period of two months}. The preferred starting date is as soon as possible.

The gross monthly salary, based on 38 hours per week and dependent on relevant experience, ranges between €3,706 to € 5,760 (scale 10). This does not include 8% holiday allowance and 8,3% year-end allowance. The UFO profile Researcher 4 is applicable. A favourable tax agreement, the ‘30% ruling’, may apply to non-Dutch applicants. The Collective Labour Agreement of Universities of the Netherlands is applicable.

Curious about our extensive secondary benefits package? You can read more about it here.

Your place at the UvA You will work in this team 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.

The mission of the Informatics Institute (IvI) is to perform curiosity-driven and use-inspired fundamental research in Computer Science. The main research themes are Artificial Intelligence, Computational Science and Systems and Network Engineering. Our research involves complex information systems at large, with a focus on collaborative, data driven, computational and intelligent systems, all with a strong interactive component.

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 and Molecular Photonics.

The mission of the Institute of Physics (IoP) is to carry out excellent research in the field of experimental and theoretical physics, to provide inspiring teaching within the physics and other curricula and to transfer our knowledge of and enthusiasm for physics to society. The IoP has over 50 faculty and 180 researchers in total. The combination with the NWO Institutes at Amsterdam Science Park constitutes the largest physics hub in the Netherlands and is an international centre of excellence.

Want to know more about our organisation? Read more about working at the University of Amsterdam.

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.

Important to know Your application & contact If you feel the profile fits you, and you are interested in the job, we look forward to receiving your application. You can apply online via the red button. We accept applications until and including 16 October 2026. Applications will be reviewed on a rolling basis.

Applications should include the following information (all files besides your cv should be submitted in one single pdf file):

• a detailed CV including the months (not just years) when referring to your education and work experience;
• a letter of motivation (maximum 1 page), explaining why you are interested in this position and why you think you are a good fit for it;
• a short project proposal (maximum 2 pages) at the intersection of Quantum Computing, Statistical Inference and Atomistic Modelling;
• a list of scientific publications;
• the names and email addresses of two references who can provide letters of recommendation (they will be contacted if your application is short-listed).

A knowledge security check can be part of the selection procedure.

(for details: national knowledge security guidelines)

Only complete applications received within the response period via the link below will be considered.

If you have any questions or do you require additional information? Please contact:

• Alberto Pérez de Alba Ortíz, Assist. Prof., a.perezdealbaortiz@uva.nl
• Clélia de Mulatier, Assist. Prof., c.demulatier@uva.nl

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.

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.