Research Scientist (M/F) Active Learning and Quantum Chemistry

Qubit Pharmaceuticals is a French-American deeptech startup, focusing on discovering novel molecules for complex targets in healthcare and materials science. We leverage proprietary molecular simulation and quantum-physics based modeling technology to develop our own discovery programs that we either co-develop with or license out to pharmaceutical and industrial partners. This enables us to design more effective and safer drug candidates, aiming to significantly reduce the time and investment needed for discovery. In just 18 months, Qubit Pharmaceuticals grew its portfolio to 7 programs in oncology, immunology & antivirals.

Our cutting-edge technology is based on over 30 years of research by our academic founders, and relies on three main components: in-depth expertise in computational science and high-performance computing (HPC), quantum chemistry and artificial intelligence algorithms, and a powerful, automated cloud platform for molecular simulation with chemical accuracy. We recently announced the launch of the world's most powerful AI foundation model for molecular simulation.

Qubit Pharmaceuticals is looking for a Research Scientist, Active Learning and Quantum Chemistry to support the development of foundation models for chemistry.

The perfect fit for this job

At Qubit Pharmaceuticals, we are looking for a Research Scientist, Active Learning and Quantum Chemistry Scientist who is quick at adapting to new challenges and issues. This person will be eager to learn, meet the needs of users, and work in a collaborative process with teammates and across multiple teams.

Your role

As a member of the Research team, you will be responsible for the Active Learning and Quantum Chemistry to support development of AI Foundations Models, including molecular quantum datasets selection and generation.

Develop new methods to solve practical and challenging problems in Active Learning and Quantum Chemistry applied to chemistry & drug discovery
Communicate the results of your research by filing patent applications, publishing peer-reviewed papers and giving presentations at research conferences
Provide technical support to users
Your qualifications and skills

Master degree or equivalent in Applied Maths / Computer Science / Chemistry

PhD in Quantum Chemistry and Machine learning is strongly preferred

Minimum of 5 years work experience (including PhD) is required

Deep theoretical and practical knowledge of active learning and quantum chemistry is strongly preferred

Proficiency with quantum chemistry (QM) methods and software (e.g., Gaussian, VASP, ORCA) for generating high-quality training data

Experience in active learning, architecture, and training methods, related to Machine Learning Force Field, Machine Learning Interaction Potentials, Neural Networks Potentials

Proficiency in programming, with expertise in Python being essential

Experience with High-Performance Computing (HPC) environments

Good communication skills for explaining complex concepts to non-specialists

Agility in a startup environment (changing priorities, multiple projects)

Open-source code development and maintenance is valuable

The proposal benefits & perks
Duration: Full time – Permanent
Starting from March 2026
Salary according to profile
Health insurance and provident fund 100% covered
Lunch vouchers worth €9 covered at 50%.
Location: Paris 14th arrondissement
Possibility of remote work for 2 days per week.