# Machine learning for phase ordering dynamics of charge density waves

arXiv: https://arxiv.org/abs/2303.03493 · HTML: https://mlsanity.com/paper/2303.03493/

## Key facts

- Cited by 15 papers in the map (data through 14 Oct 2026).
- Builds on 11 of its 108 references that are in the map.
- First posted on arXiv 6 Mar 2023.

## Builds on (most cited first, 11 of 11)

- [PyTorch: An Imperative Style, High-Performance Deep Learning Library](https://mlsanity.com/paper/1912.01703/) (2019)
- [Delving Deep into Rectifiers: Surpassing Human-Level Performance on ImageNet Classification](https://mlsanity.com/paper/1502.01852/) (2015)
- [Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics](https://mlsanity.com/paper/1707.09571/) (2017)
- [Continuously Differentiable Exponential Linear Units](https://mlsanity.com/paper/1704.07483/) (2017)
- [DScribe: Library of Descriptors for Machine Learning in Materials Science](https://mlsanity.com/paper/1904.08875/) (2019)
- [Machine learning dynamics of phase separation in correlated electron magnets](https://mlsanity.com/paper/2006.04205/) (2020)
- [Anomalous phase separation dynamics in a correlated electron system: machine-learning enabled large-scale kinetic Monte Carlo simulations](https://mlsanity.com/paper/2105.13304/) (2021)
- [Machine learning electron correlation in a disordered medium](https://mlsanity.com/paper/1810.02323/) (2018)
- [Machine learning nonequilibrium electron forces for adiabatic spin dynamics](https://mlsanity.com/paper/2112.12124/) (2021)
- [Descriptors for Machine Learning Model of Generalized Force Field in Condensed Matter Systems](https://mlsanity.com/paper/2201.00798/) (2022)
- [Machine learning predictions for local electronic properties of disordered correlated electron systems](https://mlsanity.com/paper/2204.05967/) (2022)

## Built on by (most cited first, 15 of 15)

- [Coarsening of chiral domains in itinerant electron magnets: A machine learning force field approach](https://mlsanity.com/paper/2403.11705/) (2024)
- [Kinetics of orbital ordering in cooperative Jahn-Teller models: Machine-learning enabled large-scale simulations](https://mlsanity.com/paper/2405.14776/) (2024)
- [Machine learning force-field model for kinetic Monte Carlo simulations of itinerant Ising magnets](https://mlsanity.com/paper/2411.19780/) (2024)
- [Machine-learning force-field models for dynamical simulations of metallic magnets](https://mlsanity.com/paper/2602.18213/) (2026)
- [Equivariant Neural Networks for Force-Field Models of Lattice Systems](https://mlsanity.com/paper/2601.04104/) (2026)
- [Graph Neural Networks in the Wilson Loop Representation of Abelian Lattice Gauge Theories](https://mlsanity.com/paper/2605.03901/) (2026)
- [Machine learning for structure-property relationships: Scalability and limitations](https://mlsanity.com/paper/2304.05502/) (2023)
- [Machine learning force-field models for metallic spin glass](https://mlsanity.com/paper/2311.16964/) (2023)
- [Echo State network for coarsening dynamics of charge density waves](https://mlsanity.com/paper/2412.11982/) (2024)
- [Graph neural network force fields for adiabatic dynamics of lattice Hamiltonians](https://mlsanity.com/paper/2603.02039/) (2026)
- [Machine-learning modeling of magnetization dynamics in quasi-equilibrium and driven metallic spin systems](https://mlsanity.com/paper/2604.11513/) (2026)
- [Machine learning approach for vibronically renormalized electronic band structures](https://mlsanity.com/paper/2409.01523/) (2024)
- [Enhanced coarsening of charge density waves induced by electron correlation: Machine-learning enabled large-scale dynamical simulations](https://mlsanity.com/paper/2412.21072/) (2024)
- [Learning Degenerate Manifolds of Frustrated Magnets with Boltzmann Machines](https://mlsanity.com/paper/2511.19879/) (2025)
- [Graph Neural Network Force Fields for Spin Dynamics in Metallic Magnets](https://mlsanity.com/paper/2607.28537/) (2026)

## Abstract (arXiv)

We present a machine learning (ML) framework for large-scale dynamical simulations of charge density wave (CDW) states. The charge modulation in a CDW state is often accompanied by a concomitant structural distortion, and the adiabatic evolution of a CDW order is governed by the dynamics of the lattice distortion. Calculation of the electronic contribution to the driving forces, however, is computationally very expensive for large systems. Assuming the principle of locality for electron systems, a neural-network model is developed to accurately and efficiently predict local electronic forces with input from neighborhood configurations. Importantly, the ML model makes possible a linear complexity algorithm for dynamical simulations of CDWs. As a demonstration, we apply our approach to investigate the phase ordering dynamics of the Holstein model, a canonical system of CDW order. Our large-scale simulations uncover an intriguing growth of the CDW domains that deviates significantly from the expected Allen-Cahn law for phase ordering of Ising-type order parameter field. This anomalous domain-growth could be attributed to the complex structure of domain-walls in this system. Our work highlights the promising potential of ML-based force-field models for dynamical simulations of functional electronic materials.