2025


I. 41st International Scientific Conference of ISSP UL (Riga, Latvia, 3-7 March, 2025).

1. I. Chervyakov, L.L. Rusevich, M.G. Brik, D. Gryaznov, A.M. Srivastava, G. Zvejnieks, D. Bocharov, M. Putniņa, E.A. Kotomin. "Computational study of elastic and electronic properties of A₂SiF₆ (A = Na, K, Cs) hexafluorosilicates under hydrostatic pressure". OR.

II. E-MRS 2025 Spring Meeting (Strasbourg, France, 26-30 May 2025).

2. W. Sitte, R. Merkle, A. Chesnokov, D. Gryaznov, C. Nader, A. Egger, E. Bucher,  E. Kotomin, J. Maier. "Triple-conducting Ba(Ce,Fe,Acc)O3-δ composites: phase formation, defect distribution and electronic structure investigated by density functional theory calculations". OR.

3. L.L. Rusevich, G. Zvejnieks, E.А. Kotomin. "Cationic substitutions by transition metal atoms in SrTiO3: first-principles simulations". OR.

4. Yu.A. Mastrikov, D. Gryaznov, A. Chesnokov, G. Zvejnieks, E.A. Kotomin. "Oxygen defects in Sr2FeO4-δ (δ:0-0.5): insights from DFT calculations". OR.

5. Y.-P. Liu, M.L. Weber, D. Jennings, L.L. Rusevich, E. Kotomin, F. Gunkel, R. Dittmann. "Phase-separation in the initial growth stage of exsolution-active SrTi0.95-xNi0.05NbxO3-δ thin films probed by low-temperature Scanning Tunneling Microscopy". PR.

6. L.L. Rusevich, G. Zvejnieks, E.A. Kotomin, M.G. Brik. "First principles study of advanced phosphors Cs2SiF6 and K2SiF6: Critical comparison of pure and Mn doped materials". PR.

7. E.A. Kotomin, G. Zvejnieks, L.L. Rusevich, N. Daneu, M.M. Kržmanc. "First principle studies of SrTiO3 engineering with Bi based heterostructures for efficient photostimulated hydrogen production". PR.

8. D. Gryaznov, A. Chesnokov, E.A. Kotomin, R. Merkle. "Proton migration properties in doped and undoped BaFeO3: insights from DFT calculations". PR.

9. D. Gryaznov, A. Platonenko, V.N. Kuzovkov, E.A. Kotomin, A. Lushchik. "Oxygen interstitials in wide band gap oxides: hybrid DFT calculations and analysis". PR.

10. E.A. Kotomin, V.N. Kuzovkov, A. Lushchik, A. Podelinska, V. Seeman, E. Shablonin. "Open questions on the thermal stability of primary electronic centers in heavy swift ion irradiated MgO single crystals". PR.

III. 22nd International Conference in Radiation Effects on Insulators REI-22 (Madrid, Spain, 8-13 June 2025).

11. E.A. Kotomin,  V.N. Kuzovkov, A.I. Popov, D. Gryaznov, A. Platonenko, R. Vila. "Multiscale computer modelling of radiation-induced processes in advanced oxide solids". Book of Abstracts, IO02016. OR.

12. Z.T. Karipbayev, K. Kumarbekov, A. Akilbekov, A. Zhunusbekov, B. Aizat, A. Zhalgas, A.I. Popov. "Radiation-induced color centers in Kr ion-irradiated YAP crystals". Book of Abstracts, IP08159. PR.

IV. 21st International Conference on Diffusion in Solids and Liquids DSL-2025 (Naples, Italy, 23-27 June 2025).

13. R. Merkle, C. Berger, A. Chesnokov, D. Gryaznov, E.A. Kotomin, J. Maier. "Mobile protons in triple-conducting perovskites - similarities and differences to electrolyte materials". INV.R.

14. R. Merkle, A. Chesnokov, D. Gryaznov, E. Bucher, E.A. Kotomin, J. Maier, W. Sitte. "The electronic structure, phase formation, and defect distribution in the Ba(Ce,Fe,Acc)O3 system investigated by density functional theory calculation". OR.

V. An International Workshop on the Defect-Chemical Nature of Solids Petite-XIII (Bad Aibling, Germany, 9-12 September 2025).

15. D. Gryaznov, A. Chesnokov, E. Kotomin, R. Merkle. "Electronic structure and defect-proton interactions in triple-conducting perovskites: insights from DFT". OR.

VI. The 22nd International Conference on Solid-State Protonic Conductors SSPC-22 (Copenhagen, Denmark, 14-19 September, 2025).

16. E. Bucher, C. Nader, A. Chesnokov, D. Gryaznov, R. Merkle, E.A. Kotomin, J. Maier, W. Sitte. "Triple-conducting Ba(Ce,Fe,Acc)O3-δ composites: phase formation, defect distribution and electronic structure". OR.

17. A. Chesnokov, D. Grayznov, E.A. Kotomin, R. Merkle. "Proton migration in doped and undoped BaFeO3: insights from DFT calculations". OR.