5 papers
Towards Computational Microscope of Chemical Order-Disorder via ML-Accelerated Monte Carlo Simulation
Fanli Zhou, Hao Chen, Pengxiang Xu +3
Tailoring the performance of next-generation high entropy materials requires a deep understanding of the competition between entropy-driven random solid solution and enthalpy-drive…
Statistical physics for artificial neural networks
Zongrui Pei
The 2024 Nobel Prize in Physics was awarded for pioneering contributions at the intersection of artificial neural networks (ANNs) and spin-glass physics, underscoring the profound…
Revealing Nanostructures in High-Entropy Alloys via Machine-Learning Accelerated Scalable Monte Carlo Simulation
Xianglin Liu, Kai Yang, Yongxiang Liu +5
The computational cost of traditional first-principles method quickly becomes prohibitively expensive as the number of atoms increases. This challenge is further amplified by the n…
Language Models for Materials Discovery and Sustainability: Progress, Challenges, and Opportunities
Zongrui Pei, Junqi Yin, Jiaxin Zhang
Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by th…
Riemann zeros and the KKR determinant
Zongrui Pei
We transform the counting function for the Riemann zeros into a Korringa-Kohn-Rostoker (KKR) determinant, assisted by Krein's theorem. This is based on our observation that the fun…