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
380 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
213 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
177 2019 A Framework for Quantifying Uncertainty in DFT Energy Corrections A Wang, R Kingsbury, M McDermott, M Horton, A Jain, SP Ong, ...
ChemRxiv, 2021
126 2021 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
125 2019 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
113 2023 OPTIMADE, an API for exchanging materials data CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ...
Scientific data 8 (1), 217, 2021
108 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
105 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
87 2017 Performance comparison of R Kingsbury, AS Gupta, CJ Bartel, JM Munro, S Dwaraknath, M Horton, ...
Physical Review Materials 6 (1), 013801, 2022
85 2022 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
82 2021 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
77 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
75 2020 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
68 2015 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
67 2013 IrRep: symmetry eigenvalues and irreducible representations of ab initio band structures M Iraola, JL Mañes, B Bradlyn, MK Horton, T Neupert, MG Vergniory, ...
Computer Physics Communications 272, 108226, 2022
65 2022 propnet: A Knowledge Graph for Materials Science D Mrdjenovich, MK Horton, JH Montoya, CM Legaspi, S Dwaraknath, ...
Matter 2 (2), 464-480, 2020
62 2020 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
61 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
60 2017 High-throughput determination of Hubbard GC Moore, MK Horton, E Linscott, AM Ganose, M Siron, DD O'Regan, ...
Physical Review Materials 8 (1), 014409, 2024
53 2024 
Anubhav JainLawrence Berkeley National LabПотвърден имейл адрес: lbl.gov
