Research Intern – Atomistic Modelling (Quantum Chemistry & ML)

About the role

InstaDeep is looking for a Research Intern to join its Atomistic Modelling team in Paris, working at the intersection of quantum chemistry and machine learning. The intern will contribute to cutting‑edge research projects, develop novel methods, and collaborate with both internal researchers and industry partners.

Key responsibilities

• Develop and benchmark novel atomistic modelling methods under guidance of the research team.
• Design and implement experiments from proof‑of‑concept to full benchmarking.
• Contribute to scientific publications and present findings internally and externally.
• Report experimental results in written and verbal form.
• Support cross‑team activities such as client presentations, meetings, and conference representation when required.

Required profile

• Currently enrolled in a PhD programme or recent graduate in a STEM discipline.
• Experience in quantum chemistry algorithms, quantum mechanics, or computational chemistry research.
• Background in machine learning, graph neural networks, or related AI techniques.
• At least one publication or arXiv pre‑print related to the research topics.
• Valid work permit for France for the internship duration.

Required skills

• Python programming.
• Familiarity with quantum computing packages such as Qiskit.
• Experience with JAX.
• Experience with PySCF.