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\n  \n 2026\n \n \n (1)\n \n \n
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\n \n\n \n \n \n \n \n Stability and Diffusion of Oxygen Vacancies in LaNiO3 : A DMFT Study.\n \n \n \n\n\n \n Herath, U.; Bhat, S. S.; Singh, V.; Lee, A. T.; Ngo, A. T.; Park, H.; and Romero, A. H.\n\n\n \n\n\n\n J. Phys. Chem. C, 130(2): 977–991. January 2026.\n \n\n\n\n
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@article{herath_stability_2026,\n  title = {Stability and {{Diffusion}} of {{Oxygen Vacancies}} in {{LaNiO3}} : {{A DMFT Study}}},\n  shorttitle = {Stability and {{Diffusion}} of {{Oxygen Vacancies}} in {{LaNiO3}}},\n  author = {Herath, Uthpala and Bhat, Soumya S. and Singh, Vijay and Lee, Alex T. and Ngo, Anh T. and Park, Hyowon and Romero, Aldo H.},\n  year = 2026,\n  month = jan,\n  journal = {J. Phys. Chem. C},\n  volume = {130},\n  number = {2},\n  pages = {977--991},\n  issn = {1932-7447, 1932-7455},\n  doi = {10.1021/acs.jpcc.5c03370},\n  urldate = {2026-01-15},\n  langid = {english}\n}\n\n
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\n  \n 2025\n \n \n (1)\n \n \n
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\n \n\n \n \n \n \n \n Unconventional Solitonic High-Temperature Superfluorescence from Perovskites.\n \n \n \n\n\n \n Biliroglu, M.; Türe, M.; Ghita, A.; Kotyrov, M.; Qin, X.; Seyitliyev, D.; Phonthiptokun, N.; Abdelsamei, M.; Chai, J.; Su, R.; Herath, U.; Swan, A. K.; Temnov, V. V.; Blum, V.; So, F.; and Gundogdu, K.\n\n\n \n\n\n\n Nature, 642(8066): 71–77. June 2025.\n \n\n\n\n
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@article{biliroglu_unconventional_2025,\n  title = {Unconventional Solitonic High-Temperature Superfluorescence from Perovskites},\n  author = {Biliroglu, Melike and T{\\"u}re, Mustafa and Ghita, Antonia and Kotyrov, Myratgeldi and Qin, Xixi and Seyitliyev, Dovletgeldi and Phonthiptokun, Natchanun and Abdelsamei, Malek and Chai, Jingshan and Su, Rui and Herath, Uthpala and Swan, Anna K. and Temnov, Vasily V. and Blum, Volker and So, Franky and Gundogdu, Kenan},\n  year = 2025,\n  month = jun,\n  journal = {Nature},\n  volume = {642},\n  number = {8066},\n  pages = {71--77},\n  issn = {0028-0836, 1476-4687},\n  doi = {10.1038/s41586-025-09030-x},\n  urldate = {2026-01-15},\n  langid = {english}\n}\n\n
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\n  \n 2024\n \n \n (2)\n \n \n
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\n \n\n \n \n \n \n \n Dynamical Correlations Leading to Site and Orbital Selective Mott Insulator Transition in Hydrogen Doped SmNiO3.\n \n \n \n\n\n \n Bhat, S. S.; Singh, V.; Herath, U.; Varughese, B.; Sankaranarayanan, S. K. R. S.; Park, H.; and Romero, A. H.\n\n\n \n\n\n\n Phys. Rev. B, 109(20): 205124. May 2024.\n \n\n\n\n
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@article{bhat_dynamical_2024,\n  title = {Dynamical Correlations Leading to Site and Orbital Selective {{Mott}} Insulator Transition in Hydrogen Doped {{SmNiO3}}},\n  author = {Bhat, Soumya S. and Singh, Vijay and Herath, Uthpala and Varughese, Bilvin and Sankaranarayanan, Subramanian K. R. S. and Park, Hyowon and Romero, Aldo H.},\n  year = 2024,\n  month = may,\n  journal = {Phys. Rev. B},\n  volume = {109},\n  number = {20},\n  pages = {205124},\n  issn = {2469-9950, 2469-9969},\n  doi = {10.1103/PhysRevB.109.205124},\n  urldate = {2024-08-13},\n  copyright = {All rights reserved},\n  langid = {english}\n}\n\n
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\n \n\n \n \n \n \n \n Expanding PyProcar for New Features, Maintainability, and Reliability.\n \n \n \n\n\n \n Lang, L.; Tavadze, P.; Tellez, A.; Bousquet, E.; Xu, H.; Muñoz, F.; Vasquez, N.; Herath, U.; and Romero, A. H.\n\n\n \n\n\n\n Computer Physics Communications, 297: 109063. April 2024.\n \n\n\n\n
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@article{lang_expanding_2024,\n  title = {Expanding {{PyProcar}} for New Features, Maintainability, and Reliability},\n  author = {Lang, Logan and Tavadze, Pedram and Tellez, Andres and Bousquet, Eric and Xu, He and Mu{\\~n}oz, Francisco and Vasquez, Nicolas and Herath, Uthpala and Romero, Aldo H.},\n  year = 2024,\n  month = apr,\n  journal = {Computer Physics Communications},\n  volume = {297},\n  pages = {109063},\n  issn = {00104655},\n  doi = {10.1016/j.cpc.2023.109063},\n  urldate = {2023-12-28},\n  copyright = {All rights reserved},\n  langid = {english}\n}\n\n
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\n  \n 2021\n \n \n (2)\n \n \n
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\n \n\n \n \n \n \n \n DMFTwDFT: An Open-Source Code Combining Dynamical Mean Field Theory with Various Density Functional Theory Packages.\n \n \n \n\n\n \n Singh, V.; Herath, U.; Wah, B.; Liao, X.; Romero, A. H.; and Park, H.\n\n\n \n\n\n\n Computer Physics Communications, 261: 107778. April 2021.\n \n\n\n\n
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@article{singh_dmftwdft_2021,\n  ids = {singh_dmftwdft_2020},\n  title = {{{DMFTwDFT}}: {{An}} Open-Source Code Combining {{Dynamical Mean Field Theory}} with Various Density Functional Theory Packages},\n  shorttitle = {{{DMFTwDFT}}},\n  author = {Singh, Vijay and Herath, Uthpala and Wah, Benny and Liao, Xingyu and Romero, Aldo H. and Park, Hyowon},\n  year = 2021,\n  month = apr,\n  journal = {Computer Physics Communications},\n  volume = {261},\n  pages = {107778},\n  issn = {00104655},\n  doi = {10.1016/j.cpc.2020.107778},\n  urldate = {2025-08-27},\n  langid = {english}\n}\n\n
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\n \n\n \n \n \n \n \n MechElastic: A Python Library for Analysis of Mechanical and Elastic Properties of Bulk and 2D Materials.\n \n \n \n\n\n \n Singh, S.; Lang, L.; Dovale-Farelo, V.; Herath, U.; Tavadze, P.; Coudert, F.; and Romero, A. H.\n\n\n \n\n\n\n Computer Physics Communications, 267: 108068. October 2021.\n \n\n\n\n
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@article{singh_mechelastic_2021,\n  title = {{{MechElastic}}: {{A Python}} Library for Analysis of Mechanical and Elastic Properties of Bulk and {{2D}} Materials},\n  shorttitle = {{{MechElastic}}},\n  author = {Singh, Sobhit and Lang, Logan and {Dovale-Farelo}, Viviana and Herath, Uthpala and Tavadze, Pedram and Coudert, Fran{\\c c}ois-Xavier and Romero, Aldo H.},\n  year = 2021,\n  month = oct,\n  journal = {Computer Physics Communications},\n  volume = {267},\n  pages = {108068},\n  issn = {00104655},\n  doi = {10.1016/j.cpc.2021.108068},\n  urldate = {2021-08-08},\n  copyright = {All rights reserved},\n  langid = {english},\n  annotation = {54 citations (Crossref) [2024-03-20]}\n}\n
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\n  \n 2020\n \n \n (1)\n \n \n
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\n \n\n \n \n \n \n \n PyProcar: A Python Library for Electronic Structure Pre/Post-Processing.\n \n \n \n\n\n \n Herath, U.; Tavadze, P.; He, X.; Bousquet, E.; Singh, S.; Muñoz, F.; and Romero, A. H.\n\n\n \n\n\n\n Computer Physics Communications, 251: 107080. June 2020.\n \n\n\n\n
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@article{herath_pyprocar_2020,\n  title = {{{PyProcar}}: {{A Python}} Library for Electronic Structure Pre/Post-Processing},\n  shorttitle = {{{PyProcar}}},\n  author = {Herath, Uthpala and Tavadze, Pedram and He, Xu and Bousquet, Eric and Singh, Sobhit and Mu{\\~n}oz, Francisco and Romero, Aldo H.},\n  year = 2020,\n  month = jun,\n  journal = {Computer Physics Communications},\n  volume = {251},\n  pages = {107080},\n  issn = {00104655},\n  doi = {10.1016/j.cpc.2019.107080},\n  urldate = {2020-10-22},\n  copyright = {All rights reserved},\n  langid = {english},\n  annotation = {178 citations (Crossref) [2024-03-20]}\n}\n\n
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