Loïc M. Roch obtained a Master of Science MSc in Molecular and Biological Chemistry in 2012 from the École Polytechnique Fédérale de Lausanne (EPFL), Switzerland. After a 10-month stay at University College London (UCL) where his research interest was on the interaction of clay minerals with their surroundings, he moved to Zürich, Switzerland, to complete his PhD at the University of Zürich with Prof. Kim K. Baldridge. His thesis focused on the development of cost-effective methodologies for an accurate description of correlation energy, and on the design of highly redundant and reliable high performance computing (HPC) infrastructures. Since May 2017, Loïc M. Roch worked as a Postdoctoral Fellow in the group of Prof. Alán Aspuru-Guzik, first at Harvard University (May 2017 - Nov. 2018) and now (Nov. 2018 - to-date) at the Vector Institute for Artificial Intelligence, and at the University of Toronto.

His work focuses on the design and development of self-driving laboratories to enable autonomous discovery. This involves the formulation of complex orchestration software, and the implementation of machine learning algorithms for an optimal use of automated equipment for Pareto optimization in chemistry and materials science.