PyProcar: A Python library for electronic structure pre/post-processing U Herath, P Tavadze, X He, E Bousquet, S Singh, F Muñoz, AH Romero
Computer Physics Communications 251, 107080, 2020
243 2020 MechElastic: A Python library for analysis of mechanical and elastic properties of bulk and 2D materials S Singh, L Lang, V Dovale-Farelo, U Herath, P Tavadze, FX Coudert, ...
Computer Physics Communications 267, 108068, 2021
71 2021 DMFTwDFT: an open-source code combining Dynamical Mean Field Theory with various density functional theory packages V Singh, U Herath, B Wah, X Liao, AH Romero, H Park
Computer Physics Communications 261, 107778, 2021
24 2021 Expanding PyProcar for new features, maintainability, and reliability L Lang, P Tavadze, A Tellez, E Bousquet, H Xu, F Muñoz, N Vasquez, ...
Computer Physics Communications 297, 109063, 2024
2 2024 Revisiting hydrogen doping in SmNiO3 : A DFT+U and DMFT study S Bhat, U Herath, V Singh, B Varughese, S Sankaranarayanan, H Park, ...
APS March Meeting Abstracts 2023, D30. 002, 2023
2023 Stability and diffusion of oxygen vacancies in LaNiO U Herath, V Singh, SS Bhat, H Park, AH Romero
arXiv preprint arXiv:2212.07348, 2022
2022 Development of Computational Methods for Electronic Structural Characterization of Strongly Correlated Materials: From Different Ab-Initio Perspectives UK Herath
West Virginia University, 2022
2022 Site occupation disorder study of oxygen vacancies in LaNiO3 U Herath, H Park, V Singh, B Wah, S Bhat, A Romero
APS March Meeting Abstracts 2022, G63. 002, 2022
2022 Electronic Structure of Strongly Correlated f-electron Rare-earth Metals Using Density Functional Theory and Dynamical Mean Field Theory V Singh, U Herath, B Wah, A Romero
APS March Meeting Abstracts 2022, T00. 151, 2022
2022 Applications of Nickelate perovskites for neuromorphic computing from electronic structure and Machine Learning S Bhat, U Herath, B Varughese, A Tellez, L Lang, S Manna, ...
APS March Meeting Abstracts 2022, G63. 001, 2022
2022 Recent developments in PyProcar: A Python library for electronic structure pre/post-processing U Herath, P Tavadze, H Xu, E Bousquet, S Singh, R Boucher, L Lang, ...
APS March Meeting Abstracts 2021, J20. 005, 2021
2021 MechElastic: A Python Library for Analysis of Mechanical and Elastic Properties S Singh, L Lang, V Dovale-Farelo, U Herath, P Tavadze, FX Coudert, ...
APS March Meeting Abstracts 2021, M41. 006, 2021
2021 DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages U Herath, V Singh, B Wah, X Liao, A Romero, H Park
Bulletin of the American Physical Society 65, 2020
2020 DMFTwDFT: A free-license DMFT package interfaced with various DFT implementations H Park, V Singh, U Herath, B Wah, X Liao, A Romero
Bulletin of the American Physical Society 65, 2020
2020 Electronic Structure of Strongly Correlated f-electron System: DFT+ DMFT Approach V Singh, U Herath, B Wah, A Romero, H Park
Bulletin of the American Physical Society 65, 2020
2020 PyProcar FJ Muñoz-Saez, AH Romero, S Singh, U Herath, P Tavadze, E Bousquet, ...
2020 An ab-initio DFT+DMFT study of the effect of oxygen vacancies on structural, electronic and magnetic properties of rare-earth nickelate perovskites (RNiO3 ) U Herath, H Park, A Romero
APS March Meeting Abstracts 2019, S40. 005, 2019
2019 
Aldo Humberto RomeroWest Virginia UniversityAdresse e-mail validée de mail.wvu.edu
