48 citations · 89 across the 5 of their papers we have counts for
Showing 2023Show all
2 papers · 1 filter
cond-mat.mtrl-sci2023★ 2 cited
Stability, mechanisms and kinetics of emergence of Au surface reconstructions using Bayesian force fields
Cameron J. Owen, Yu Xie, Anders Johansson +2
Metal surfaces have long been known to reconstruct, significantly influencing their structural and catalytic properties. Many key mechanistic aspects of these subtle transformation…
physics.comp-ph2023★ 14 cited
Scaling the leading accuracy of deep equivariant models to biomolecular simulations of realistic size
Albert Musaelian, Anders Johansson, Simon Batzner +1
This work brings the leading accuracy, sample efficiency, and robustness of deep equivariant neural networks to the extreme computational scale. This is achieved through a combinat…