Postdoc on Quantum Bayesian Optimization for Molecular and Material Design

Uva; Amsterdam; On-site; EUR 41,000 - 64,000; Full time

Job summary

University of Amsterdam seeks an ambitious postdoctoral researcher to advance quantum computing for machine learning and atomistic modelling. You will develop quantum and classical pipelines to accelerate simulations and optimize molecular properties, collaborating across IvI, HIMS, IoP and the MMD tech hub.

The role emphasizes original research, publication, and active participation in seminars and teaching activities, with a 18-month temporary contract and a competitive salary.

Qualifications

• PhD in Quantum Computing or a closely related field.
• Publications in international refereed journals or publishers.
• Willingness to participate in interdisciplinary cooperation.
• Professional command of English.

Responsibilities

• Conduct independent research in quantum Bayesian optimization and its applications to molecules and materials.
• Contribute to seminars, symposia and knowledge transfer activities.
• Collaborate within the MMD technology hub and with IvI, HIMS, IoP groups and SURF/DIEP teams.

Skills

Quantum computing

Machine learning

Communication

English proficiency

Interdisciplinary collaboration

Education

PhD in Quantum Computing

PhD in Computational Chemistry/Physics

Tools

Python

Qiskit

Job description

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).

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.

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.

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

• Alberto Pérez de Alba Ortíz, Assist. Prof., [e-mail]
• Clélia de Mulatier, Assist. Prof., [e-mail]