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By deploying this framework to model twisted multilayer $\text{MoTe}_2$ systems subjected to diamond-anvil-cell relevant pressures, we demonstrate that external mechanical pressure serves as a high-precision tuning knob. It successfully drives band-flattening regimes, triggers systematic valley Chern number inversions, and optimizes the state preparation of highly entangled fractional Chern insulator phases on quantum co-processors. This structural separation—where classical AI methods handle large-scale structural deformations while quantum processors simulate strong electron correlations—bypasses the exponential scaling bottlenecks that limit purely classical modeling. This work establishes a clear framework for the accelerated, code-driven discovery of topological phases within vdW heterostructures.
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Cited by: 0, Fan, Z., Xia, Z., Kang, K., Shan, J., & Wu, Q.-S. (2026). Layerwise stratification and band reordering in twisted multilayer $\text{MoTe}_2$. Proceedings of the National Academy of Sciences, 123(23), e2532550123.
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Jiao, P. et al. (2026). Hydrostatic Pressure-enhanced correlated magnetism and Chern insulator in moiré $\text{WSe}_2$. arXiv preprint arXiv:2602.15465.
Cited by: 0, Liu, J., Fang, Z., Weng, H., & Wu, Q.-S. (2025). DPmoire: A tool for constructing accurate machine learning force fields in moiré systems. npj Computational Materials, 11(1), 248.
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Cited by: 8, Mandal, S., Maity, I., Krishnamurthy, H. R., & Jain, M. (2024). PARPHOM: PARallel PHOnon calculator for Moiré systems. arXiv preprint arXiv:2410.21075. (Published in Computer Physics Communications, 2025).
Cited by: 5, Shen, Z.-X., Yu, Y., & Hwang, H. Y. (2026). Observation of the $\nu = 1/3$ fermionic Laughlin state in a moiré quantum simulator. Nature Communications, 17(1), 4012.
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