| A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023 | 62 | 2023 |
| Photocatalytic water splitting reaction catalyzed by ion-exchanged salts of potassium poly (heptazine imide) 2D materials SK Sahoo, IF Teixeira, A Naik, J Heske, D Cruz, M Antonietti, A Savateev, ... The Journal of Physical Chemistry C 125 (25), 13749-13758, 2021 | 40 | 2021 |
| Automated bonding analysis with crystal orbital hamilton populations J George, G Petretto, A Naik, M Esters, AJ Jackson, R Nelson, ... ChemPlusChem 87 (11), e202200123, 2022 | 21 | 2022 |
| A quantum-chemical bonding database for solid-state materials AA Naik, C Ertural, N Dhamrait, P Benner, J George Scientific Data 10 (1), 610, 2023 | 8 | 2023 |
| Investigations on electron beam irradiated rare-earth doped SrF 2 for application as low fading dosimeter material: evidence for and DFT simulation of a radiation-induced phase M Arnold, J Katzmann, A Naik, AL Görne, T Härtling, J George, C Schuster Journal of materials chemistry C 10 (32), 11579-11587, 2022 | 6 | 2022 |
| A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 1) AA Naik, C Ertural, N Dhamrait, P Benner, J George Zenodo, 2023 | 1 | 2023 |
| Quantum-Chemical Bonding Database (Unprocessed data: Part 1) AA Naik, C Ertural, N Dhamrait, P Benner, J George Zenodo, 2023 | 1 | 2023 |
| Front Cover: Automated Bonding Analysis with Crystal Orbital Hamilton Populations (ChemPlusChem 11/2022) J George, G Petretto, A Naik, M Esters, AJ Jackson, R Nelson, ... ChemPlusChem 87 (11), e202200245, 2022 | 1 | 2022 |
| LobsterPy: A package to automatically analyze LOBSTER runs AA Naik, K Ueltzen, C Ertural, AJ Jackson, J George Journal of Open Source Software 9 (94), 6286, 2024 | | 2024 |
| Exploring the thermal and ionic transport of Cu+ conducting argyrodite Cu7PSe6 Cu+ argyrodites A Ghata, T Bernges, W Zeier, PS Till, OM Maus, AA Naik, J Bustamante, ... Universität Münster, 2024 | | 2024 |
| " Ultima Ratio": Simulating wide-range X-ray scattering and diffraction BR Pauw, S Laskina, A Naik, GJ Smales, J George, I Breßler, P Benner arXiv preprint arXiv:2303.13435, 2023 | | 2023 |
| Thermodynamic and Thermoelectric Properties of the Canfieldite,(Ag8SnS6), in the Quasi-Harmonic Approximation J Bustamante, AA Naik, K Ueltzen, C Ertural, J George | | 2023 |
| Jupyter notebook and VASP calculation details accompanying the manuscript:" Ultima Ratio: Simulating wide-range X-ray scattering and diffraction" BR Pauw, S Laskina, AA Naik, GJ Smales, J George, I Breßler, P Benner Zenodo, 2023 | | 2023 |
| Building quantum chemical orbital based bonding descriptor database AA Naik | | 2023 |
| New descriptors for materials properties based on bonding indicators AA Naik | | 2022 |
| DFT raw data for" Investigations on electron beam irradiated rare-earth doped SrF2 for application as low fading dosimeter material: Evidence for and DFT simulation of a … J George, AA Naik Zenodo, 2022 | | 2022 |
| Automated bonding analysis with crystal orbital Hamilton populations (program code LobsterPy) J George, G Petretto, AA Naik, M Esters, AJ Jackson, R Nelson, ... Zenodo, 2022 | | 2022 |
| Scripts to reproduce" Automated bonding analysis with crystal orbital Hamilton populations" J George, AA Naik, AJ Jackson, S Baird Zenodo, 2022 | | 2022 |
| Exploring the Thermal and Ionic Transport of Cu+ Conducting Argyrodite Cu7PSe6 A Ghata, T Bernges, O Maus, B Wankmiller, AA Naik, J Bustamante, ... Advanced Energy Materials, 2402039, 0 | | |
Janine GeorgeBundesanstalt für Materialforschung und -prüfung在 bam.de 的电子邮件经过验证
