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Preprints

• Y. Zhou, D. F. Thomas du Toit, S. R. Elliott, W. Zhang^*, V. L. Deringer^*, The pathway to chirality in elemental tellurium, preprint at arXiv:2409.03860 (2024).
  

2026

23. Y. Liu, Y. Zhou, R. Ademuwagun, L. Walterbos, J. George, S. R. Elliott, V. L. Deringer^*, Medium-range structural order in amorphous arsenic, Nat. Commun., 148, 9400–9412 (2026).

2025

22. Y. Zhou, D. F. Thomas du Toit, S. R. Elliott, W. Zhang^*, V. L. Deringer^*, Full-cycle device-scale simulations of memory materials with a tailored atomic-cluster-expansion potential, Nat. Commun., 16, 8688 (2025).

21. Y. Liu, J. D. Morrow, C. Ertural, N. L. Fragapane, J. L.A. Gardner, A. A. Naik, Y. Zhou, J. George^*, V. L. Deringer^*, An automated framework for exploring and learning potential-energy surfaces, Nat. Commun., 16, 7666 (2025).

2024

20. D. F. Thomas du Toit, Y. Zhou, V. L. Deringer, Hyperparameter optimization for atomic cluster expansion potentials, J. Chem. Theory Comput., 20, 10103–10113 (2024).

19. J. Tan, J.‐J. Wang, H.-M. Zhang, H.‐Y. Zhang, H. Li, Y. Wang, Y. Zhou, V. L. Deringer, W. Zhang, Homopolar Chemical Bonds Induce In‐Plane Anisotropy in Layered Semiconductors, Small Sci., 2400226 (2024).

2023

18. Y. Zhou, W. Zhang*, E Ma, V. L. Deringer*, Device-scale atomistic modelling of phase-change memory materials, Nat. Electron., 6, 746–754 (2023).

17. Y. Zhou, S. R. Elliott, V. L. Deringer*, Structure and bonding in amorphous red phosphorus, Angew. Chem. Int. Ed., 62, e202216658 (2023).

16. X. Shen#, Y. Zhou^#, H. Zhang, V. L. Deringer, R. Mazzarello, W. Zhang^*, Surface effects on the crystallization kinetics of amorphous antimony, Nanoscale, 15, 15259–15267 (2023).

2022

15. Y. Zhou, W. Kirkpatrick, V. L. Deringer*, Cluster Fragments in Amorphous Phosphorus and their Evolution under Pressure, Adv. Mater., 34, 2107515 (2022).

14. Y. Xu#, Y. Zhou^#, X. D. Wang, W. Zhang^*, E. Ma, V. L. Deringer, R. Mazzarello^*,Unraveling Crystallization Mechanisms and Electronic Structure of Phase‐Change Materials by Large‐Scale Ab Initio Simulations,Adv. Mater., 34, 2270084 (2022).

2021

13. Y. Zhou, H. Zhang, V. L. Deringer, W. Zhang^*, Structure and Dynamics of Supercooled Liquid Ge₂Sb₂Te₅ from Machine‐Learning‐Driven Simulations, Phys. Status Solidi RRL, 15, 2000403 (2021).

12. L. Sun#, Y. Zhou^#, X. D. Wang, Y. Chen, V. L. Deringer, R. Mazzarello, W. Zhang^*, Ab initio molecular dynamics and materials design for embedded phase-change memory, npj Comput. Mater., 7, 29 (2021).

11. X. Wang, Y. Wu, Y. Zhou, V. L. Deringer, W. Zhang^*, Bonding nature and optical contrast of TiTe₂/Sb₂Te₃ phase-change heterostructure, Mater. Sci. Semicond. Process, 135, 106080 (2021).

10. S. Ahmed, X. D. Wang, Y. Zhou, L. Sun, R. Mazzarello, W. Zhang^*, Unraveling the optical contrast in Sb₂Te and AgInSbTe phase-change materials, J. Phys. Photonics, 3, 034011 (2021).

9. S. Ahmed, X. Wang, H. Li, Y. Zhou, Y. Chen, L. Sun, W. Zhang^*, R. Mazzarello^*, Change in Structure of Amorphous Sb–Te Phase‐Change Materials as a Function of Stoichiometry, Physica Status Solidi Rapid Res. Lett., 15, 2100064 (2021).

8. Y. Xu, X. Wang, W. Zhang^*, L. Schäfer, J. Reindl, F. V. Bruch, Y. Zhou, V. Evang, J. J. Wang, V. L. Deringer, E. Ma, M. Wuttig^*, R. Mazzarello^*, Adv. Mater., 33, 2006221 (2021).

7. J. Wang, C. Zhou, Y. Yu, Y. Zhou, L. Lu, B. Ge, Y. Cheng, C. L. Jia, R. Mazzarello, Z. Shi, M. Wuttig, W. Zhang^*, Enhancing thermoelectric performance of Sb₂Te₃ through swapped bilayer defects, Nano Energy, 79, 105484 (2021).

2020

6.Y. Zhou, L. Sun, G. M, R. Mazzarello, V. L. Deringer, E. Ma, W. Zhang^*, Bonding similarities and differences between Y–Sb–Te and Sc–Sb–Te phase-change memory materials, J. Mater. Chem. C, 8, 3646–3654 (2020).

5. T. T. Jiang^#, X. D. Wang^#, J. J. Wang^*, Y. Zhou, D. L. Zhang, L. Lu, C. L. Jia, M. Wuttig, R. Mazzarello, W. Zhang^*, In situ study of vacancy disordering in crystalline phase-change materials under electron beam irradiation, Acta Mater., 187, 103–101 (2020).

2019

4. K. Y. Ding^#, J. J. Wang^#, Y. Zhou^#, H. Tian^#, L. Lu, R. Mazzarello, C. Jia, W. Zhang*, F. Rao*, E. Ma*, Phase-change heterostructure enables ultralow noise and drift for memory operation, Science, 366, 210–215 (2019).

3. G. M. Zewdie#, Y. Zhou^#, L. Sun, F. Rao, V. L. Deringer, R. Mazzarello, W. Zhang^*, Chemical design principles for cache-type Sc-Sb-Te phase-change memory materials, Chem. Mater., 31, 4008–40115 (2019).

2. Y. H. Chen^#, L. Sun^#, Y. Zhou, G. M. Zewdie, V. L. Deringer, R. Mazzarello, W. Zhang^*, Chemical understanding of resistance drift suppression in Ge-Sn-Te phase-change memory materials. J. Mater. Chem. C, 8, 71–77 (2019).

2017

1. F. Rao^#*, K. Y. Ding^#, Y. Zhou^#, Y. H. Zheng, M. J. Xia, S. L. Lv, Z. T. Song*, S. L. Feng, I. Ronneberger, R. Mazzarello, W. Zhang*, E. Ma, Reducing the stochasticity of crystal nucleation to enable subnanosecond memory writing, Science, 358, 1423–1427 (2017).

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