Measuring the Local Geometry of Valleys in Complex Energy Landscapes by Exhaustive Exploration: The Lid Method. - Paolo Sibani; Johann Christian Schön (PARA, 2002)

Optimal Control of Hydrogen Atom-Like Systems as Thermodynamic Engines in Finite Time. - Johann Christian Schön (Entropy, 2020)

IGLOO: An Iterative Global Exploration and Local Optimization Algorithm to Find Diverse Low-Energy Conformations of Flexible Molecules. - William Margerit; Antoine Charpentier; Cathy Maugis-Rabusseau; Johann Christian Schön; Nathalie Tarrat; Juan Cortés (Algorithms, 2023)

Enhancing synthesis prediction via machine learning. - Johann Christian Schön (Nat. Comput. Sci., 2025)