NanoTitan: An AI-Driven Memory-Efficient Platform for High-Performance Molecular Dynamics Simulation
NanoTitan: An AI-Driven Memory-Efficient Platform for High-Performance Molecular Dynamics Simulation. Preprint, 2025.
Flexible Boundary Sequential Coupling for Atomistic Simulation of Crystal Defects
Flexible Boundary Sequential Coupling for Atomistic Simulation of Crystal Defects. Preprint, 2026.
yanbo-zhan
Evaluating Universal Interatomic Potentials for Metallic Systems: From Elastic Response to Defect Energetics and Ideal Strength
Evaluating Universal Interatomic Potentials for Metallic Systems: From Elastic Response to Defect Energetics and Ideal Strength. Preprint · Under review, 2026.
jiawen-yu
Autonomous Knowledge Distillation for an AI-Ready Knowledge Layer
Autonomous Knowledge Distillation for an AI-Ready Knowledge Layer. Preprint · Under review, 2026.
jiaye-chen
An AI-Ready Fine-Tuning Framework for Accurate Machine-Learning Interatomic Potentials in Solid–Solid Battery Interfaces
An AI-Ready Fine-Tuning Framework for Accurate Machine-Learning Interatomic Potentials in Solid–Solid Battery Interfaces. Preprint · Under review, 2026.
xiaoqing-liu
2D-ProteinRAG: Mitigating Intent-Context Misalignment in Homology-Based Protein Question Answering
2D-ProteinRAG: Mitigating Intent-Context Misalignment in Homology-Based Protein Question Answering. Preprint · Under review, 2026.
li-ding
Trainable Photonic Measurement for Physics-Informed PDE Learning
Trainable Photonic Measurement for Physics-Informed PDE Learning. Preprint · Under review, 2026.
jiale-linghu
Trainability-Oriented Hybrid Quantum Regression via Geometric Preconditioning and Curriculum Optimization
Trainability-Oriented Hybrid Quantum Regression via Geometric Preconditioning and Curriculum Optimization. Preprint · Under review, 2026.
qingyu-meng
Residual-Christoffel Sampling for Random Feature Collocation of Linear PDEs
Residual-Christoffel Sampling for Random Feature Collocation of Linear PDEs. Preprint · Under review, 2026.
jiale-linghu
Random Feature Kalman Filtering for Linear PDE Data Assimilation
Random Feature Kalman Filtering for Linear PDE Data Assimilation. Preprint · Under review, 2026.
xian-li