Research

22. Low fractional volume superconductivity in single crystals of P⁢r4⁢N⁢i3⁢O10 under pressure
X. Chen, E. H. T. Poldi, S. Huyan, R. Chapai, H. Zheng, S. L. Bud’ko, U. Welp, P. C. Canfield, R. J. Hemley, et al.
Physical Review B 111, 094525 (2025)
3/31/2025 | Link to Article | Link to Data

21. Electronic structure of the honeycomb iridate Cu2⁢IrO3 at high pressure
G. Fabbris, E. H. T. Poldi, S. Sinha, J. Lim, T. Elmslie, J. H. Kim, A. Said, M. Upton, M. Abramchuk, et al.
Physical Review B 111, 075153 (2025)
2/20/2025 | Link to Article | Link to Data

20. Giant negative linear compressibility in orthorhombic copper cyanide
S. Kesari, A. B. Garg, N. P. Salke and R. Rao
Physical Review Letters 134, 126102 (2025)
3/26/2025 | Link to the Article | Link to Data

19. Powder X-ray diffraction assisted evolutionary algorithm for crystal structure prediction
S. Racioppi, A. Otero-de-la-Roza, S. Hajinazar, and E. Zurek
Digital Discovery 4, 73 (2025)
1/1/2025 | Link to Article | Link to Script | Link to Data 1 2 3

18. Impact of data bias on machine learning for crystal compound synthesizability predictions
A. Davariashtiyani, B. Wang, S. Hajinazar, E. Zurek, and S. Kadkhodaei
Machine Learning: Science and Technology 5, 040501 (2024)
11/26/2024 | Link to Article | Link to Data | Codes

17. Effect of low-temperature compression on superconductivity and crystal structure in strontium metal
J. Lim, S. Sinha, D. E. Jackson, R. S. Kumar, C. Park, R. J. Hemley, D. VanGennep, Y. K. Vohra, R. G. Hennig, P. J. Hirschfeld, G. R. Stewart, and J. J. Hamlin
Physics Review B 110, 174519 (2024)
11/25/2024 | Link to Article | Link to Data

16. High-pressure characterization of Ag3AuTe2: Implications for strain-induced band tuning
J. Won, R. Zhang, C. Peng, R. Kumar, M. S. Gebre, D. Popov, R. J. Hemley, B. Bradlyn, T. P. Devereaux, and D. P. Shoemaker
Applied Physics Letters 125, 212103 (2024)
11/18/2024 | Link to Article | Link to Data

15. XtalOpt version 13: Multi-objective evolutionary search for novel functional materials
S. Hajinazar, and E. Zurek
Computer Physics Communications 304, 109306 (2024)
11/1/2024 | Link to Article | No data was used for the research described in this article.

14. Structural transition and uranium valence change in UTe2 at high pressure revealed by x-ray diffraction and spectroscopy
Y. Deng, E. Lee-Wong, C. M. Moir, R. S. Kumar, N. Swedan, C. Park, D. Y. Popov, Y. Xiao, P. Chow, R. E. Baumbach, R. J. Hemley, P. S. Riseborough, and M. B. Maple
Physics Review B 110, 075140 (2024)
8/21/2024 | Link to Article | Link to Data

13 .Pressure dependence of intermediate-range order and elastic properties of glassy Baltic amber
S. N. Tkachev, C. M. Zoller, C. Kenney-Benson, M. Ahart, R. J. Hemley, V. N. Novikov, and S. Kojima
Physics Review E 110, 024501 (2024)
8/2/2024 | Link to Article | Link to Data

12. Identification of a Stable B2H2 Intermediate in the Decomposition of Zr(BH4)4 on the Pd(111) Surface
R. Ranjan, M. Redington, A. Ologun, E. Zurek, D. P. Miller, and M. Trenary
The Journal of Physical Chemistry C 128, 30, 12414–12426 (2024)
7/22/2024 | Link to Article | Linke to Data 1 2

11. Thermally frustrated phase transition at high pressure in B2-ordered FeV
H. Reyes-Pulido, B. K C, R. S. Kumar, R. J. Hemley, and J. A. Muñoz
AIP Advances 14, 075108 (2024)
7/1/2024 | Link to Article | Link to Data

10. High-temperature concomitant metal-insulator and spin-reorientation transitions in a compressed nodal-line ferrimagnet Mn3Si2Te6
R. A. Susilo, C. I. Kwon, Y. Lee, N. P. Salke, C. De, J. Seo, B. Kang, R. J. Hemley, P. Dalladay-Simpson, Z. Wang, D. Y. Kim, K. Kim, S. Cheong, H. W. Yeom, K. H. Kim, and J. S. Kim
Nature Communications 15, 3998 (2024)
5/11/2024 | Link to Article | Link to Data

9. Heating samples to 2000 °C and above for scanning tunneling microscopy studies in ultrahigh vacuum
B. S. A. Gedara, and M. Trenary
Journal of Vacuum Science & Technology B 42, 014201 (2024)
1/1/2024 | Link to Article | Link to Data

8. Formation energy prediction of crystalline compounds using deep convolutional network learning on voxel image representation
A. Davariashtiyani, and S. Kadkhodaei
Communications Materials 4, 105 (2023)
12/8/2023 | Link to Article | Link to Data

7. Structurally Constrained Evolutionary Algorithm for the Discovery and Design of Metastable Phases
B. Wang, K. P. Hilleke, S. Hajinazar, G. Frapper, and E. Zurek
Journal of Chemical Theory and Computation 19, 21, 7960–7971 (2023)
10/19/2023 | Link to Article | Link to Data

6. Niobium substitution suppresses the superconducting critical temperature of pressurized MoB2
J. Lim, S. Sinha, A. C. Hire, J. S. Kim, P. M. Dee, R. S. Kumar, D. Popov, R. J. Hemley, R. G. Hennig, P. J. Hirschfeld, G. R. Stewart, and J. J. Hamlin
Physics Review B 108, 094501 (2023)
9/1/2023 | Link to Article | Link to Data

5. P-V-T equation of state of boron carbide
M. Somayazulu, M. Ahart, Y. Meng, J. Ciezak, N. Velisavlevic, and R. J. Hemley
Philosophical Transactions A 381, 20220331 (2023)
8/28/2023 | Link to Article | Link to Data

4. Conventional High-Temperature Superconductivity in Metallic, Covalently Bonded, Binary-Guest C–B Clathrates
N. Geng, K. P. Hilleke, L. Zhu, X. Wang, T. A. Strobel, and E. Zurek
Journal of the American Chemical Society 145, 3, 1696–1706 (2023)
1/9/2023 | Link to Article | Link to Data

3. Creating superconductivity in WB2 through pressure-induced metastable planar defects
J. Lim, A. C. Hire, Y. Quan, J. S. Kim, S. R. Xie, S. Sinha, R. S. Kumar, D. Popov, C. Park, R. J. Hemley, Y. K. Vohra, J. J. Hamlin, R. G. Hennig, P. J. Hirschfeld, and G. R. Stewart
Nature Communications 13, 7901 (2022)
12/22/2022 | Link to Article | Link to Data

2. The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure
X. Wang, D. M. Proserpio, C. Oses, C. Toher, S. Curtarolo, and E. Zurek
Angewandte Chemie 61, 32, e202205129
6/24/2022 | Link to Article | Link to Data

1. Predicting synthesizability of crystalline materials via deep learning
A. Davariashtiyani, Z. Kadkhodaie, and S. Kadkhodaei
Communications Materials 2, 115 (2021)
11/18/2021 | Link to Article | Link to Data

Leveraging Large Language Models to Address Data Scarcity in Machine Learning: Applications in Graphene Synthesis
D. Biswajeet, and S. Kadkhodaei
2025 | Link to Article | Link to Data

Resiliency, Morphology, and Transformations of a OneDimensional High-Entropy Oxide
H. Shahbazi, P. Seraji, H. Faraj, T. Yang, A. Kim, S. Fattahpour, I. Papailias, M. Diamond, S. Namvar, A. Ahmadiparidari, S. Wang, Z. Liu, K. Kumar, M. Aihaiti, J. Cabana, S. Kadkhodaei, J. Wang, Z. Huang, R. J. Hemley, and A. Salehi-khojin
2025 | Link to Article | Link to Data

Theoretical Predictions of MB5N5: Atom-Stuffed Boronitride Clathrate Cages Derived from the High-Pressure Superhydride
N. Genga, G. Scillaa, and E. Zurek
2025 | Link to Article | Link to Data