Xiao He

98PUBLICATIONS
153CO-AUTHORS
Surface water quality processes and contaminated sediment assessmentStructural biology (incl. macromolecular modelling)Surface water hydrologyNatural language processingGlass
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Publications (98)

|Oct 26, 2026
Unified Multitask Model for Aquatic Toxicity Prediction across Organism Groups and Effect End Points: A Comparison of Molecular Representations.

|Oct 23, 2026
Pathway-Dependent Energetics of SLC15A4-TASL Engagement: Single-Protomer Switching and Dimer-Interface Remodeling.

|Sep 14, 2026
Coupled-Cluster Theory for Water Empowered by Quantum Fragmentation and Deep Learning.

|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.

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Frequent Collaborators

13 joint publications

Jinfeng Liu

11 joint publications

Donald G Truhlar

9 joint publications

Jinrong Yang

8 joint publications

Ying Wang