188 citations · 1.9k across the 73 of their papers we have counts for
74 papers
Four-phonon scattering and coherent heat transport in ultrawide-bandgap SrSnO3
Xuejie Li, Xiaoying Wang, Shengying Yue +4
SrSnO3 is a promising ultrawide-bandgap perovskite oxide whose thermal transport is governed by structural distortions and anharmonic lattice dynamics. Here, we investigate the lat…
LLM-driven discovery for carbon allotropes with bond-network entropy
Yuzhou Hao, Yujie Liu, Xuejie Li +4
The discovery of novel carbon allotropes with tailored thermal and mechanical properties is critical for advanced thermal management. However, exploring the vast configurational sp…
Role of octahedral tilting induced acoustic softening on limiting thermal transport in SrSnO3
Yuzhou Hao, Turab Lookman, Xiangdong Ding +2
Octahedral tilting is a fundamental structural distortion in perovskites, governing key phenomena such as lattice stabilizing, soft phonon dynamics, group-theoretical analysis, pha…
Materials Informatics: Emergence To Autonomous Discovery In The Age Of AI
Turab Lookman, YuJie Liu, Zhibin Gao
This perspective explores the evolution of materials informatics, from its foundational roots in physics and information theory to its maturation through artificial intelligence (A…
Bgolearn: a Unified Bayesian Optimization Framework for Accelerating Materials Discovery
Bin Cao, Jie Xiong, Jiaxuan Ma +11
Efficient exploration of vast compositional and processing spaces remains a major challenge in accelerated materials discovery. Bayesian optimization (BO) provides a principled app…
Metavalent Bonding-Induced Phonon Hardening and Giant Anharmonicity in BeO
Xuejie Li, Yuzhou Hao, Yujie Liu +6
The search for materials with intrinsically low thermal conductivity () is critical for energy applications, yet conventional descriptors often fail to capture the complex int…