2024

25.  X.-G. Zhao, O. I. Malyi, A.Zunger “The polymorphous nature of the local structure of δ-Bi2O3" submitted

24. M. Boström*, S. Pal, H. R. Gopidi, S. Osella, A. Gholamhosseinian, G. Palasantzas, O. I. Malyi* “Inverse design for Casimir-Lifshitz force near heterogeneous gapped metal surface” submitted

23. Y. Li, O. I. Malyi, I. Brevik, M. Boström “Semi-classical description for Casimir self-interaction in the atom: effects of finite size and temperature” submitted

22. Y. Li, P. Parashar, T. Jayasekera, I. Brevik, C. Persson, O. I. Malyi, M. Boström “A mechanism for ice growth on the surface of a spherical water droplet” submitted

21. H. R. Gopidi, L. Vashist, O. I. Malyi* “Unveiling defect physics in gapped metals: A theoretical investigation into defect formation and electronic structure interplay” submitted (*corresponding author)

20. H. R. Gopidi, L. Vashist, O. I. Malyi* “Physics of band-filling correction in defect calculations of solid-state materials” submitted (*corresponding author)

19. A. Yadav, M. Boström, O. I. Malyi* “Understanding of dielectric properties of cellulose”, Cellulose, 2024, in press (*corresponding author)

18. H. Joshi, M. Wlazło, H. R. Gopidi, O. I. Malyi* “Temperature-induced suppression of structural disproportionation in paramagnetic quantum materials” Journal of Applied Physics, 2024, 135, 053901 (*corresponding author)

17. L. Wang, Y. Zhong, H. Wang, O. I. Malyi, F. Wang, Y, Zhang, G. Hong, Y. Tang “New emerging fast charging microscale electrode materials” Small, 2024, 2307027.

2023

16. M. Boström*, Y. Li*, I. Brevik, C. Persson, S. Carretero-Palacios, O. I. Malyi* “van der Waals induced ice growth on partially melted ice nuclei in mist and fog” Physical Chemistry Chemical Physics, 2023, 25, 32709 (*corresponding authors)

15. M. Boström*, M. R. Khan*, H. R. Gopidi, I. Brevik, Y. Li, C. Persson, O. I. Malyi* “Tuning the Casimir-Lifshitz force with gapped metals” Physical Review B, 2023, 108, 165306 (*corresponding authors)

14. L. Vashist, H. R. Gopidi, M.R. Khan, O. I. Malyi* “Noble gas functional defect with unusual relaxation pattern in solids” Journal of Physical Chemistry Letters, 2023, 14, 9090 (*corresponding author)

13. M. Boström, S. Kuthe, S. Carretero-Palacios, V. Esteso, Y. Li, I. Brevik, H. R. Gopidi, O. I. Malyi, B. Glaser, C. Persson “Understanding ice and water film formation on soil particles by combining density functional theory and Casimir-Lifshitz forces” Physical Review B, 2023, 108, 125434

12. B. W. Ninham*, I. Brevik*, O. I. Malyi*, M. Boström* “A role for Bose-Einstein condensation in astrophysics” Substantia, 2023, 7, 35-39 (*corresponding authors)

11. A. Yadav, C. M. Acosta, G. M. Dalpian*, O. I. Malyi* "First-principles investigations of 2D materials: challenges and best practices" Matter, 2023, 6, 2711 (*corresponding authors)

10. Y. Li, O. I. Malyi, I. Brevik, M. Boström “Different pathways to anomalous stabilization of ice layers on methane hydrates” Physical Review E, 2023, 108, 034801

9. M. R. Khan, H. R. Gopidi, O. I. Malyi* “Optical properties and electronic structures of intrinsic gapped metals: inverse materials design principles for transparent conductors” Applied Physics Letters, 2023, 123, 061101 (*corresponding author)

8. M. R. Khan, H. R. Gopidi, H. R. Darabian, D.A. Pawlak, O. I. Malyi* “Spontaneous off-stoichiometry as the knob to control dielectric properties of gapped metals” Physical Chemistry Chemical Physics, 2023, 25, 20287 (*corresponding author) (PCCP hot paper)

6. B. W. Ninham, I. Brevik, M. Boström “Equivalence of Electromagnetic Fluctuation and Nuclear (Yukawa) Forces: the π0 Meson, its Mass and Lifetime” Substantia 2023, 7, 7

5. O. I Malyi, A. Zunger “The rise and fall of Mott insulating gaps in YNiO3 paramagnets as a reflection of symmetry breaking and remaking” Physical Review Materials, 2023, 7, 044409

4. M. Wlazło, O. I. Malyi* “Effect of pressure on the electronic structure of antiferromagnetic and paramagnetic YNiO3: role of disproportionation” Physical Chemistry Chemical Physics, 2023, 25, 7003 (*corresponding author)

3. Y. Li*, R. W. Corkery, S. Carretero-Palacios, K. Berland, V. Esteso, J. Fiedler, K. A. Milton, I. Brevik*, M. Boström* "Origin of anomalously stabilizing ice layers on methane gas hydrates near rock surface" Physical Chemistry Chemical Physics, 2023, 25, 6636 (*corresponding authors)

2. M. R. Khan, H. R. Gopidi, M. Wlazło, O. I. Malyi* "Fermi level instability as a way to tailor properties of La3Te4" Journal of Physical Chemistry Letters, 2023, 14, 1962 (*corresponding author)

2022

1. D. Gambino, O.I. Malyi, Z. Wang, B. Alling, A. Zunger “Density functional description of spin, lattice, and spin-lattice dynamics in antiferromagnetic and paramagnetic phases at finite temperatures” Physical Review B, 2022, 106, 134406