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20232026
most citedMachine-Learning Interatomic Potentials for Long-Range Systems

21 citations · 21 across the 7 of their papers we have counts for

collaborators

7 papers

physics.chem-ph2026

Prolate spheroidal wave functions enable fast and exponent-aware long-range machine learning interatomic potentials

Jiuyang Liang, Libin Lu, Yajie Ji +1

Long-range interactions such as electrostatics and dispersion remain a central bottleneck for machine learning interatomic potentials (MLIPs), especially in ionic, polar and interf…

math.NA2025

Derivative-informed Graph Convolutional Autoencoder with Phase Classification for the Lifshitz-Petrich Model

Yanlai Chen, Yajie Ji, Zhenli Xu

The Lifshitz-Petrich (LP) model is a classical model for describing complex spatial patterns such as quasicrystals and multiphase structures. Solving and classifying the solutions…

cs.LG2025

SGPT-PINNs: Sparse and Small models for PDEs

Yajie Ji, Yanlai Chen, Shawn Koohy

We propose SGPT-PINN, a sparse and small model for solving parametric partial differential equations (PDEs). Similar to Small Language Models (SLMs), SGPT-PINN is tailored…

physics.chem-ph2025★ 21 cited

Machine-Learning Interatomic Potentials for Long-Range Systems

Yajie Ji, Jiuyang Liang, Zhenli Xu

Machine-learning interatomic potentials have emerged as a revolutionary class of force-field models in molecular simulations, delivering quantum-mechanical accuracy at a fraction o…

math.NA2025

EGPT-PINN: Entropy-enhanced Generative Pre-Trained Physics Informed Neural Networks for parameterized nonlinear conservation laws

Yajie Ji, Yanlai Chen, Zhenli Xu

We propose an entropy-enhanced Generative Pre-Trained Physics-Informed Neural Network with a transform layer (EGPT-PINN) for solving parameterized nonlinear conservation laws. The…

math.NA2024

TGPT-PINN: Nonlinear model reduction with transformed GPT-PINNs

Yanlai Chen, Yajie Ji, Akil Narayan +1

We introduce the Transformed Generative Pre-Trained Physics-Informed Neural Networks (TGPT-PINN) for accomplishing nonlinear model order reduction (MOR) of transport-dominated part…

math.NA2023

MCMS-RBM: Multi-Component Multi-State Reduced Basis Method toward Efficient Transition Pathway Identification for Crystals and Quasicrystals

Yajie Ji, Lijie Ji, Yanlai Chen +1

Due to quasicrystals having long-range orientational order but without translational symmetry, traditional numerical methods usually suffer when applied as is. In the past decade,…