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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 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\n \n \n \n \n \n Dynamical Correlations Leading to Site and Orbital Selective Mott Insulator Transition in Hydrogen Doped SmNiO 3.\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 {{SmNiO}} 3},\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 2022\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; Romero, A. H; Singh, V.; and Park, H.\n\n\n \n\n\n\n arXiv. 2022.\n \n\n\n\n
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@article{herath_stability_2022,\n  title = {Stability and Diffusion of Oxygen Vacancies in {{LaNiO3}}: A {{DMFT}} Study},\n  author = {Herath, Uthpala and Bhat, Soumya S and Romero, Aldo H and Singh, Vijay and Park, Hyowon},\n  year = {2022},\n  journal = {arXiv},\n  doi = {https://arxiv.org/pdf/2212.07348},\n  langid = {english}\n}\n
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\n  \n 2021\n \n \n (1)\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\n
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\n  \n 2020\n \n \n (2)\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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\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,107778. December 2020.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{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 = {2020},\n  month = dec,\n  journal = {Computer Physics Communications},\n  pages = {107778},\n  issn = {00104655},\n  doi = {10.1016/j.cpc.2020.107778},\n  urldate = {2020-12-30},\n  copyright = {All rights reserved},\n  langid = {english},\n  annotation = {16 citations (Crossref) [2024-03-20]}\n}\n\n
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