Xiao He

95PUBLICATIONS
151CO-AUTHORS
Natural language processingGlassCompound semiconductorsMicro- and nanosystemsStructure and dynamics of materials
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Publications (95)

|Aug 20, 2026
A Toolset-First Paradigm Based on Large Language Model and Agent via Model Context Protocol for Intelligent Computation.

|Aug 10, 2026
Revealing Crystallization Mechanism of Gallium Arsenide by Machine Learning Molecular Dynamics Simulation.

|Jul 21, 2026
DynStabNet: A Deep Learning Framework for Fast Dynamical Stability Prediction of Crystal Structures.

|May 08, 2026
Semiconductor Superlattice with Remarkable Raman Enhancement for Ultrafast Culture-Free Sensing of Multiple Pathogens.

|May 04, 2026
Real-time visualization of collagen assembly uncovers metastable properties in hierarchical organization.

|May 02, 2026
Insights Into Density Functional Performance From a Main-Group and Transition-Metal Molecular Benchmark.

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Frequent Collaborators

12 joint publications

Jinfeng Liu

11 joint publications

Donald G Truhlar

8 joint publications

Jinrong Yang

8 joint publications

Ying Wang