43 citations · 56 across the 3 of their papers we have counts for
3 papers
cs.AI2026
An Ontology for Machine Learning Interatomic Potentials
Daniel Hernández, Jong Hyun Jung, Yuji Ikeda +11
Machine learning interatomic potentials (MLIPs) approximate quantum-mechanical energies and forces---conventionally computed by density functional theory (DFT) or wave-function met…
cond-mat.mtrl-sci2025★ 43 cited
Lattice distortions and non-sluggish diffusion in BCC refractory high entropy alloys
Jingfeng Zhang, Xiang Xu, Fritz Körmann +10
Refractory high-entropy alloys (RHEAs) have emerged as promising candidates for extreme high-temperature applications, for example, in next-generation turbines and nuclear reactors…
cond-mat.mtrl-sci2025★ 13 cited
Accurate complex-stacking-fault Gibbs energy in Ni3Al at high temperatures
Xiang Xu, Xi Zhang, Andrei Ruban +2
To gain a deeper insight into the anomalous yield behavior of Ni3Al, it is essential to obtain temperature-dependent formation Gibbs energies of the relevant planar defects. Here,…