1 citations · 1 across the 1 of their papers we have counts for
4 papers
Cross-functional transferability in universal machine learning interatomic potentials
Xu Huang, Bowen Deng, Peichen Zhong +3
The rapid development of universal machine learning interatomic potentials (uMLIPs) has demonstrated the possibility for generalizable learning of the universal potential energy su…
Crystal structure prediction with host-guided inpainting generation and foundation potentials
Peichen Zhong, Xinzhe Dai, Bowen Deng +2
Unconditional crystal structure generation with diffusion models faces challenges in identifying symmetric crystals as the unit cell size increases. We present the Crystal Host-Gui…
Origin of Enhanced Performance when Mn-Rich Rocksalt Cathodes transform to -DRX
Shashwat Anand, Tara P. Mishra, Peichen Zhong +4
Most Mn-rich cathodes are known to undergo phase transformation into structures resembling spinel-like ordering upon electrochemical cycling. Recently, the irreversible transformat…
MatLLMSearch: Crystal Structure Discovery with Evolution-Guided Large Language Models
Jingru Gan, Peichen Zhong, Yuanqi Du +7
Crystal structure generation is fundamental to materials science, enabling the discovery of novel materials with desired properties. While existing approaches leverage Large Langua…