4 citations · 4 across the 8 of their papers we have counts for
9 papers
Machine Learning for High-Entropy Catalysts: Methods and Applications
Hao Chen, Zongrui Pei, Xianglin Liu
High-entropy alloys (HEAs) exhibit exceptional catalytic performance in various reactions due to their high configurational entropy, synergistic elemental effects, tunable electron…
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…
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…
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…
Machine learning-enabled tomographic imaging of chemical short-range atomic ordering
Yue Li, Timoteo Colnaghi, Yilun Gong +13
In solids, chemical short-range order (CSRO) refers to the self-organisation of atoms of certain species occupying specific crystal sites. CSRO is increasingly being envisaged as a…
Machine Learning for High-entropy Alloys: Progress, Challenges and Opportunities
Xianglin Liu, Jiaxin Zhang, Zongrui Pei
High-entropy alloys (HEAs) have attracted extensive interest due to their exceptional mechanical properties and the vast compositional space for new HEAs. However, understanding th…
Neural network based order parameter for phase transitions and its applications in high-entropy alloys
Junqi Yin, Zongrui Pei, Michael Gao
Phase transition is one of the most important phenomena in nature and plays a central role in materials design. All phase transitions are characterized by suitable order parameters…