Miroslav Lebeda

Benchmarking Universal Machine-Learning Interatomic Potentials for Temperature-Dependent Elasticity of Binary and High-Entropy Refractory Carbides

Accurate prediction of temperature-dependent elasticity is important for assessing refractory carbides under high-temperature conditions, but the computational cost of ab initio molecular dynamics (AIMD) limits systematic investigations across compositions and temperatures. Universal machine-learning interatomic potent...