| 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 | 151 | 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 | 47 | 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 | 29 | 2022 |
| A foundation model for atomistic materials chemistry, 2024 I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 0 | 18 | |
| 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 | 12 | 2023 |
| A foundation model for atomistic materials chemistry, arXiv, 2024 I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096 10, 2024 | 10 | 2024 |
| A foundation model for atomistic materials chemistry, arXiv I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096 10, 2024 | 6 | 2024 |
| 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 |
| 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 | 2 | 2024 |
| 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 | 2 | 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 |
| Atomate2: Modular workflows for materials science A Ganose, H Sahasrabuddhe, M Asta, K Beck, T Biswas, A Bonkowski, ... ChemRxiv, 1-66, 2025 | | 2025 |
| An automated framework for exploring and learning potential-energy surfaces Y Liu, JD Morrow, C Ertural, NL Fragapane, JLA Gardner, AA Naik, ... arXiv preprint arXiv:2412.16736, 2024 | | 2024 |
| 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 14 (46), 2402039, 2024 | | 2024 |
| Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Y Zimmermann, A Bazgir, Z Afzal, F Agbere, Q Ai, N Alampara, ... arXiv preprint arXiv:2411.15221, 2024 | | 2024 |
| Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry J George, A Naik, K Ueltzen Arxiv, 1-98, 2024 | | 2024 |
| Exploring the Thermal and Ionic Transport of Cu Conducting Argyrodite Cu A Ghata, T Bernges, O Maus, B Wankmiller, AA Naik, J Bustamante, ... | | 2024 |
| Material property predictions by incorporating quantum chemical bonding information AA Naik | | 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 |
Janine GeorgeBundesanstalt für Materialforschung und -prüfungVerified email at bam.de
