| 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 |
| A machine-driven hunt for global reaction coordinates of azobenzene photoisomerization P Tavadze, G Avendaño Franco, P Ren, X Wen, Y Li, JP Lewis Journal of the American Chemical Society 140 (1), 285-290, 2018 | 47 | 2018 |
| Catalytic decomposition of methane into hydrogen and high-value carbons: combined experimental and DFT computational study IW Wang, RA Dagle, TS Khan, JA Lopez-Ruiz, L Kovarik, Y Jiang, M Xu, ... Catalysis Science & Technology 11 (14), 4911-4921, 2021 | 29 | 2021 |
| Effects of support and promoter on Ru catalyst activity in microwave-assisted ammonia synthesis Y Wang, C Wildfire, TS Khan, D Shekhawat, J Hu, P Tavadze, ... Chemical Engineering Journal 425, 130546, 2021 | 26 | 2021 |
| Boosting photocatalytic hydrogen production by modulating recombination modes and proton adsorption energy Y Dai, Q Bu, R Sooriyagoda, P Tavadze, O Pavlic, T Lim, Y Shen, ... The Journal of Physical Chemistry Letters 10 (18), 5381-5386, 2019 | 19 | 2019 |
| Exploring DFT+U parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling P Tavadze, R Boucher, G Avendaño-Franco, KX Kocan, S Singh, ... npj Computational Materials 7 (1), 182, 2021 | 11 | 2021 |
| Exploring the elastic and electronic properties of chromium molybdenum diboride alloys V Dovale-Farelo, P Tavadze, MJ Verstraete, A Bautista-Hernández, ... Journal of Alloys and Compounds 866, 158885, 2021 | 9 | 2021 |
| Activation of two highly stable molecules–nitrogen and methane to co-produce ammonia and ethylene S Tiwari, TS Khan, P Tavadze, J Hu Chemical Engineering Journal 413, 127501, 2021 | 9 | 2021 |
| Graphene-Supported Fe/Ni, β-Mo2C Nanoparticles: Experimental and DFT Integrated Approach to Catalyst Development for Synergistic Hydrogen Production … AD Lalsare, TS Khan, B Leonard, R Vukmanovich, P Tavazohi, L Li, J Hu ACS Catalysis 11 (1), 364-382, 2020 | 9 | 2020 |
| Exploring DFT+ U parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling. npj Comput P Tavadze, R Boucher, G Avendaño-Franco, KX Kocan, S Singh, ... Mater 7, 182, 2021 | 5 | 2021 |
| Vickers hardness prediction from machine learning methods V Dovale-Farelo, P Tavadze, L Lang, A Bautista-Hernandez, AH Romero Scientific Reports 12 (1), 22475, 2022 | 4 | 2022 |
| 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 |
| Dry-Patterning Chemically Sensitive Quantum Materials Using a Computer Numerical Control Router Machine J Benigno, Q Zou, P Tavadze, C Cen, L Li Bulletin of the American Physical Society, 2024 | | 2024 |
| Decoding Chemical Inhomogeneity in Iron Chalcogenides: Insight from Self-Organizing Map Analysis of STM/S Data P Tavadze, Q Zou, B Oli, J Benigno, L Li Bulletin of the American Physical Society, 2024 | | 2024 |
| Experimental results on data analysis algorithms for extracting and interpreting edge feature data for duct tape and textile physical fit examinations M Prusinowski, P Tavadze, Z Andrews, L Lang, D Pulivendhan, ... Journal of Forensic Sciences 69 (2), 498-514, 2024 | | 2024 |
| Using convolutional neural networks to support examiners in duct tape physical fit comparisons L Lang, P Tavadze, M Prusinowski, Z Andrews, C Neumann, T Trejos, ... Forensic Science International 353, 111884, 2023 | | 2023 |
| Evaluating exchange correlation performance on structural prediction from GGA to metaGGA P Tavadze, M Verstraete, A Romero Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Manipulating thin film properties by search for substrates over databases P Tavadze, L Li, C Cen, A Romero APS March Meeting Abstracts 2019, P18. 014, 2019 | | 2019 |
| Bayesian Calibration assisted by Markov Chain Monte Carlo sampling of parameter space of J and U values in DFT+ U: Applications for Fe, Mn and Cu based compounds P Tavadze, T Harris, D Mebane, A Romero APS March Meeting Abstracts 2018, P18. 007, 2018 | | 2018 |
