2 papers
physics.chem-ph2024
Integer linear programming for unsupervised training set selection in molecular machine learning
Matthieu Haeberle, Puck van Gerwen, Ruben Laplaza +4
Integer linear programming (ILP) is an elegant approach to solve linear optimization problems, naturally described using integer decision variables. Within the context of physics-i…
cond-mat.mtrl-sci2021
Giant Huang-Rhys Factor for Electron Capture by the Iodine Interstitial in Perovskite Solar Cells
Lucy D. Whalley, Puck van Gerwen, Jarvist M. Frost +3
Improvement in the optoelectronic performance of halide perovskite semiconductors requires the identification and suppression of non-radiative carrier trapping processes. The iodin…