2023
R. Millan, Bello-Jurado, E., Moliner, M., Boronat, M., and Gómez-Bombarelli, R.,
“Effect of framework composition and NH3 on the diffusion of Cu+ in Cu-CHA catalysts predicted by machine-learning accelerated molecular dynamics”,
arXiv:2305.12896, 2023.
X. Du, Damewood, J. K., Lunger, J. R., Millan, R., Yildiz, B., Li, L., and Gómez-Bombarelli, R.,
“Machine-learning-accelerated simulations enable heuristic-free surface reconstruction”,
arXiv:2305.07251, 2023.