no code implementations • 19 Aug 2022 • Nikolaj Rønne, Mads-Peter V. Christiansen, Andreas Møller Slavensky, Zeyuan Tang, Florian Brix, Mikkel Elkjær Pedersen, Malthe Kjær Bisbo, Bjørk Hammer
We describe a local surrogate model for use in conjunction with global structure search methods.
no code implementations • 15 Jul 2020 • Henrik Lund Mortensen, Søren Ager Meldgaard, Malthe Kjær Bisbo, Mads-Peter V. Christiansen, Bjørk Hammer
The recently proposed Atomistic Structure Learning Algorithm (ASLA) builds on neural network enabled image recognition and reinforcement learning.