Odile Eisenstein is a computational chemist who has worked in very strong symbiosis with leading experimental chemists to address questions on structures, properties and reactivity of complex molecular species. Her research concerns molecular organic and organometallic chemistry often with direct impact in homogeneous catalysis. She is one of the leaders in the revolution that contributed to convince experimentalists of the importance of computations and helped them to feel at ease with them. She is also keen in promoting the importance of understanding computational studies in terms known to chemists.

She is Directrice de recherche Emerite CNRS at the University Montpellier, France. She was invited professor at Indiana, UC Berkeley, Texas A&M, Oslo, Israel, Technion, Nottingham and York, and holds honorary degrees from Indiana, Laval, Oslo, York, and Technion.

She received the CNRS Silver medal, the Prix Le Bel from the French Chemical Society, the Langevin award from the Académie des sciences, the RSC Frankland and Centenary prizes and the ACS Organometallics award. She is a member of the Académie des sciences, the International Academy of Quantum Molecular Science (president 2018-2023), and an international member of Academies in North-Rhine Westphalia, Norway, and USA. She is officer of Legion d’Honneur and Ordre du Mérite.