These two articles are cited as influential papers that have contributed to groundbreaking methodological advances:
An article from 2024 by P.M. de Hijes, C. Dellago, R. Jinnouchi, B. Schmiedmayer and G. Kresse, in J. Chem. Phys. 160, 114107 (2024) and another article from 2019 by R. Jinnouchi, J. Lahnsteiner, F. Karsai, G. Kresse and M. Bokdam in Phys. Rev. Lett. 122, 225701 (2019).
See:
https://www.nobelprize.org/prizes/physics/2024/advanced-information/