Thermodynamic properties of chemically disordered compounds via AI-driven estimation of partition function with the PULSE method 事件

Thermodynamic properties of chemically disordered compounds via AI-driven estimation of partition function with the PULSE method arXiv:2605.28594v1 Announce Type: cross Abstract: In this article, we present an improved version of the PULSE method (Partition function Unsupervised Learning Sampling and Evaluation) for estimating the thermodynamic properties of chemically disordered compounds. The aim is to reduce the computational cost of Monte Carlo approaches for this type of material and to de