158 citations · 298 across the 10 of their papers we have counts for
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cond-mat.mtrl-sci2023★ 13 cited
Surface Phase Diagrams from Nested Sampling
Mingrui Yang, Livia B. Pártay, Robert B. Wexler
Studies in atomic-scale modeling of surface phase equilibria often focus on temperatures near zero Kelvin due to the challenges in calculating the free energy of surfaces at finite…
cond-mat.mtrl-sci2023★ 22 cited
A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces and nanoparticles
Jan Kloppenburg, Livia B. Pártay, Hannes Jónsson +1
A Gaussian approximation machine learning interatomic potential for platinum is presented. It has been trained on DFT data computed for bulk, surfaces and nanostructured platinum,…