LEARNING MATTER

Dietschreit, Johannes CB

Year of Publication:
2023
Entropy and Energy Profiles of Chemical Reactions

arXiv:2304.10676
,

2023
Year of Publication:
2023
Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles

arXiv:2305.01754
,

2023
Year of Publication:
2023
Differentiable Simulations for Enhanced Sampling of Rare Events

arXiv:2301.03480
,

2023
Year of Publication:
2022
From Free-Energy Profiles to Activation Free Energies

The Journal of Chemical Physics
,

vol.
157
,

pp.
084113
,

2022