Internship : Quantum Chemistry and Quantum Computing for modelling Carbon Capture

At Capgemini Invent, we believe that innovation is the engine of change. As digital transformation consultants, we combine our strategic, creative and scientific capabilities, collaborating closely with our clients from various sectors of activity (industry, services, finance, public sector, health, etc.) to provide them with solutions for state of the art. Join us to drive a transformation adapted to our customers' challenges. We are looking for a motivated and talented junior researcher to contribute to an innovative project at the intersection of quantum chemistry, quantum computation and machine learning, with a focus on carbon capture. This role involves performing electronic structure simulations including exploring quantum computing algorithms, developing and implementing machine learning workflows. As part of a multidisciplinary team, the successful candidate will gain experience in cutting-edge techniques and technologies at the intersection of computational chemistry, quantum sciences, and machine learning. There might be a possibility to pursue an industrial PhD on this topic in the near future. Special attention will be given to candidates who are interested in pursuing such an opportunity. Responsibilities Develop and implement machine learning workflows for carbon capture. Curate and harmonize datasets for use in computational workflows. Explore and test quantum algorithms applicable to the project’s objectives. Perform proof-of-concept demonstrations of proposed approaches. Collaborate with senior researchers to interpret results and refine methodologies. Contribute to drafting scientific articles and presentations to disseminate findings. Stay up-to-date on relevant technologies and research trends. Required Skills Master’s degree in computational chemistry or material science or related field (possibility of continuing with a PhD) Experience with Datascience. Proficiency in Python or a similar programming language. Strong analytical and problem-solving skills. Desirable Skills Experience with Quantum chimestry simulation tools: quantumEspresso, VASP, PySCF, etc. Experience with machine learning concepts, methods and applications to scientific challenges (e.g., TensorFlow, PyTorch, or scikit-learn) Basic understanding of quantum computing principles and algorithms Familiarity with data curation, preprocessing, and harmonization techniques. Experience writing or contributing to scientific articles. Opportunities This role provides an excellent opportunity to: Build expertise in machine learning and quantum chemistry techniques. Work with an interdisciplinary team of researchers and professionals. Gain exposure to high-impact challenges in carbon capture and sustainability. Contribute to cutting-edge research and publications in the field.

Location: Issy-les-Moulineaux, FR

Posted Date: 2/8/2025