Atomistic structure search using local surrogate mode. - Nikolaj Rønne; Mads-Peter V. Christiansen; Andreas Møller Slavensky; Zeyuan Tang; Florian Brix; Mikkel Elkjær Pedersen; Malthe Kjær Bisbo; Bjørk Hammer (CoRR, 2022)

Efficient ensemble uncertainty estimation in Gaussian processes regression. - Mads-Peter V. Christiansen; Nikolaj Rønne; Bjørk Hammer (Mach. Learn. Sci. Technol., 2024)