| Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows K Mathew, JH Montoya, A Faghaninia, S Dwarakanath, M Aykol, H Tang, ... Computational Materials Science 139, 140-152, 2017 | 346 | 2017 |
| Grain boundary properties of elemental metals H Zheng, XG Li, R Tran, C Chen, M Horton, D Winston, KA Persson, ... Acta Materialia 186, 40-49, 2020 | 173 | 2020 |
| Materials design of perovskite solid solutions for thermochemical applications J Vieten, B Bulfin, P Huck, M Horton, D Guban, L Zhu, Y Lu, KA Persson, ... Energy & Environmental Science 12 (4), 1369-1384, 2019 | 160 | 2019 |
| High-throughput prediction of the ground-state collinear magnetic order of inorganic materials using Density Functional Theory MK Horton, JH Montoya, M Liu, KA Persson npj Computational Materials 5 (1), 2, 2019 | 107 | 2019 |
| A Framework for Quantifying Uncertainty in DFT Energy Corrections A Wang, R Kingsbury, M McDermott, M Horton, A Jain, SP Ong, ... ChemRxiv, 2021 | 103 | 2021 |
| OPTIMADE, an API for exchanging materials data CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ... Scientific data 8 (1), 217, 2021 | 92 | 2021 |
| High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration AS Rosen, V Fung, P Huck, CT O’Donnell, MK Horton, DG Truhlar, ... npj Computational Materials 8 (1), 1-10, 2022 | 81 | 2022 |
| Assessing local structure motifs using order parameters for motif recognition, interstitial identification, and diffusion path characterization NER Zimmermann, MK Horton, A Jain, M Haranczyk Frontiers in Materials 4, 34, 2017 | 77 | 2017 |
| Mg Doping Affects Dislocation Core Structures in GaN SK Rhode, MK Horton, MJ Kappers, S Zhang, CJ Humphreys, RO Dusane, ... Physical review letters 111 (2), 025502, 2013 | 66 | 2013 |
| Performance comparison of and SCAN metaGGA density functionals for solid materials via an automated, high-throughput computational workflow R Kingsbury, AS Gupta, CJ Bartel, JM Munro, S Dwaraknath, M Horton, ... Physical Review Materials 6 (1), 013801, 2022 | 65 | 2022 |
| Segregation of In to dislocations in InGaN MK Horton, S Rhode, SL Sahonta, MJ Kappers, SJ Haigh, TJ Pennycook, ... Nano letters 15 (2), 923-930, 2015 | 65 | 2015 |
| Benchmarking coordination number prediction algorithms on inorganic crystal structures H Pan, AM Ganose, M Horton, M Aykol, KA Persson, NER Zimmermann, ... Inorganic chemistry 60 (3), 1590-1603, 2021 | 63 | 2021 |
| IrRep: symmetry eigenvalues and irreducible representations of ab initio band structures M Iraola, JL Mańes, B Bradlyn, MK Horton, T Neupert, MG Vergniory, ... Computer Physics Communications 272, 108226, 2022 | 60 | 2022 |
| MatterGen: a generative model for inorganic materials design C Zeni, R Pinsler, D Zügner, A Fowler, M Horton, X Fu, S Shysheya, ... arXiv preprint arXiv:2312.03687, 2023 | 59 | 2023 |
| propnet: A Knowledge Graph for Materials Science D Mrdjenovich, MK Horton, JH Montoya, CM Legaspi, S Dwaraknath, ... Matter 2 (2), 464-480, 2020 | 59 | 2020 |
| The Materials Project: Accelerating Materials Design Through Theory-Driven Data and Tools A Jain, J Montoya, S Dwaraknath, NER Zimmermann, J Dagdelen, ... Handbook of Materials Modeling: Methods: Theory and Modeling, 1751-1784, 2020 | 59 | 2020 |
| An improved symmetry-based approach to reciprocal space path selection in band structure calculations JM Munro, K Latimer, MK Horton, S Dwaraknath, KA Persson npj Computational Materials 6 (1), 1-6, 2020 | 58 | 2020 |
| Carrier localization in the vicinity of dislocations in InGaN FCP Massabuau, P Chen, MK Horton, SL Rhode, CX Ren, TJ O'Hanlon, ... Journal of Applied Physics 121 (1), 013104, 2017 | 58 | 2017 |
| High-throughput search for magnetic and topological order in transition metal oxides NC Frey, MK Horton, JM Munro, SM Griffin, KA Persson, VB Shenoy Science advances 6 (50), eabd1076, 2020 | 57 | 2020 |
| Promises and perils of computational materials databases MK Horton, S Dwaraknath, KA Persson Nature Computational Science 1 (1), 3-5, 2021 | 40 | 2021 |
Anubhav JainLawrence Berkeley National LabVerified email at lbl.gov
