| Recent advances and applications of deep learning methods in materials science K Choudhary, B DeCost, C Chen, A Jain, F Tavazza, R Cohn, CW Park, ... npj Computational Materials 8 (1), 59, 2022 | 293 | 2022 |
| The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design K Choudhary, KF Garrity, ACE Reid, B DeCost, AJ Biacchi, ... npj computational materials 6 (1), 173, 2020 | 267* | 2020 |
| Enhancing materials property prediction by leveraging computational and experimental data using deep transfer learning D Jha, K Choudhary, F Tavazza, W Liao, A Choudhary, C Campbell, ... Nature communications 10 (1), 5316, 2019 | 237 | 2019 |
| High-throughput identification and characterization of two-dimensional materials using density functional theory K Choudhary, I Kalish, R Beams, F Tavazza Scientific reports 7 (1), 5179, 2017 | 235 | 2017 |
| Atomistic line graph neural network for improved materials property predictions K Choudhary, B DeCost npj Computational Materials 7 (1), 185, 2021 | 218 | 2021 |
| Machine learning with force-field-inspired descriptors for materials: Fast screening and mapping energy landscape K Choudhary, B DeCost, F Tavazza Physical review materials 2 (8), 083801, 2018 | 140 | 2018 |
| Materials science in the artificial intelligence age: high-throughput library generation, machine learning, and a pathway from correlations to the underpinning physics RK Vasudevan, K Choudhary, A Mehta, R Smith, G Kusne, F Tavazza, ... MRS communications 9 (3), 821-838, 2019 | 136 | 2019 |
| Elastic properties of bulk and low-dimensional materials using van der Waals density functional K Choudhary, G Cheon, E Reed, F Tavazza Physical Review B 98 (1), 014107, 2018 | 126 | 2018 |
| Accelerated discovery of efficient solar cell materials using quantum and machine-learning methods K Choudhary, M Bercx, J Jiang, R Pachter, D Lamoen, F Tavazza Chemistry of materials 31 (15), 5900-5908, 2019 | 110 | 2019 |
| Convergence and machine learning predictions of Monkhorst-Pack k-points and plane-wave cut-off in high-throughput DFT calculations K Choudhary, F Tavazza Computational materials science 161, 300-308, 2019 | 105 | 2019 |
| Computational screening of high-performance optoelectronic materials using OptB88vdW and TB-mBJ formalisms K Choudhary, Q Zhang, ACE Reid, S Chowdhury, N Van Nguyen, Z Trautt, ... Scientific data 5 (1), 1-12, 2018 | 99 | 2018 |
| Cross-property deep transfer learning framework for enhanced predictive analytics on small materials data V Gupta, K Choudhary, F Tavazza, C Campbell, W Liao, A Choudhary, ... Nature communications 12 (1), 6595, 2021 | 84 | 2021 |
| High-throughput density functional perturbation theory and machine learning predictions of infrared, piezoelectric, and dielectric responses K Choudhary, KF Garrity, V Sharma, AJ Biacchi, AR Hight Walker, ... npj computational materials 6 (1), 64, 2020 | 73 | 2020 |
| Data-driven discovery of 3D and 2D thermoelectric materials K Choudhary, KF Garrity, F Tavazza Journal of Physics: Condensed Matter 32 (47), 475501, 2020 | 58 | 2020 |
| High-throughput discovery of topologically non-trivial materials using spin-orbit spillage K Choudhary, KF Garrity, F Tavazza Scientific reports 9 (1), 8534, 2019 | 47 | 2019 |
| Artificial intelligence for search and discovery of quantum materials V Stanev, K Choudhary, AG Kusne, J Paglione, I Takeuchi Communications Materials 2 (1), 105, 2021 | 43 | 2021 |
| Computational search for magnetic and non-magnetic 2D topological materials using unified spin–orbit spillage screening K Choudhary, KF Garrity, J Jiang, R Pachter, F Tavazza NPJ Computational Materials 6 (1), 49, 2020 | 36 | 2020 |
| Database of Wannier tight-binding Hamiltonians using high-throughput density functional theory KF Garrity, K Choudhary Scientific data 8 (1), 106, 2021 | 32 | 2021 |
| Designing high-TC superconductors with BCS-inspired screening, density functional theory, and deep-learning K Choudhary, K Garrity npj Computational Materials 8 (1), 244, 2022 | 30 | 2022 |
| High-throughput search for magnetic topological materials using spin-orbit spillage, machine learning, and experiments K Choudhary, KF Garrity, NJ Ghimire, N Anand, F Tavazza Physical Review B 103 (15), 155131, 2021 | 29 | 2021 |
Kamal ChoudharyNational Institute of Standards and TechnologyVerified email at nist.gov
