| Roadmap on machine learning in electronic structure HJ Kulik, T Hammerschmidt, J Schmidt, S Botti, MAL Marques, M Boley, ... Electronic Structure 4 (2), 023004, 2022 | 150 | 2022 |
| Dynamic instabilities in strongly correlated monolayers and bilayers M Esters, RG Hennig, DC Johnson Physical Review B 96 (23), 235147, 2017 | 115 | 2017 |
| OPTIMADE, an API for exchanging materials data CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ... Scientific data 8 (1), 217, 2021 | 101 | 2021 |
| Disordered enthalpy–entropy descriptor for high-entropy ceramics discovery S Divilov, H Eckert, D Hicks, C Oses, C Toher, R Friedrich, M Esters, ... Nature 625 (7993), 66-73, 2024 | 83 | 2024 |
| Entropy landscaping of high‐entropy carbides MD Hossain, T Borman, C Oses, M Esters, C Toher, L Feng, A Kumar, ... Advanced Materials 33 (42), 2102904, 2021 | 65 | 2021 |
| High-entropy ceramics: propelling applications through disorder C Toher, C Oses, M Esters, D Hicks, GN Kotsonis, CM Rost, DW Brenner, ... Mrs Bulletin 47 (2), 194-202, 2022 | 53 | 2022 |
| Settling the matter of the role of vibrations in the stability of high-entropy carbides M Esters, C Oses, D Hicks, MJ Mehl, M Jahnátek, MD Hossain, JP Maria, ... Nature communications 12 (1), 5747, 2021 | 53 | 2021 |
| Carbon stoichiometry and mechanical properties of high entropy carbides MD Hossain, T Borman, A Kumar, X Chen, A Khosravani, SR Kalidindi, ... Acta Materialia 215, 117051, 2021 | 53 | 2021 |
| Sub-monolayer accuracy in determining the number of atoms per unit area in ultrathin films using X-ray fluorescence DM Hamann, D Bardgett, DLM Cordova, LA Maynard, EC Hadland, ... Chemistry of Materials 30 (18), 6209-6216, 2018 | 42 | 2018 |
| The AFLOW library of crystallographic prototypes: part 3 D Hicks, MJ Mehl, M Esters, C Oses, O Levy, GLW Hart, C Toher, ... Computational Materials Science 199, 110450, 2021 | 39 | 2021 |
| Plasmonic high-entropy carbides A Calzolari, C Oses, C Toher, M Esters, X Campilongo, SP Stepanoff, ... Nature communications 13 (1), 5993, 2022 | 38 | 2022 |
| Synthesis of Inorganic Structural Isomers By Diffusion‐Constrained Self‐Assembly of Designed Precursors: A Novel Type of Isomerism M Esters, MB Alemayehu, Z Jones, NT Nguyen, MD Anderson, C Grosse, ... Angewandte Chemie International Edition 54 (4), 1130-1134, 2015 | 37 | 2015 |
| aflow. org: A web ecosystem of databases, software and tools M Esters, C Oses, S Divilov, H Eckert, R Friedrich, D Hicks, MJ Mehl, ... Computational Materials Science 216, 111808, 2023 | 36 | 2023 |
| Influence of Defects on the Charge Density Wave of ([SnSe]1+δ)1(VSe2)1 Ferecrystals M Falmbigl, D Putzky, J Ditto, M Esters, SR Bauers, F Ronning, ... ACS nano 9 (8), 8440-8448, 2015 | 35 | 2015 |
| 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 |
| aflow++: A C++ framework for autonomous materials design C Oses, M Esters, D Hicks, S Divilov, H Eckert, R Friedrich, MJ Mehl, ... Computational Materials Science 217, 111889, 2023 | 27 | 2023 |
| Structural Changes in 2D BiSe Bilayers as n Increases in (BiSe)1+δ(NbSe2)n (n = 1–4) Heterostructures G Mitchson, E Hadland, F Göhler, M Wanke, M Esters, J Ditto, ... ACS nano 10 (10), 9489-9499, 2016 | 24 | 2016 |
| Tuning Electrical Properties through Control of TiSe2 Thickness in (BiSe)1+δ(TiSe2)n Compounds SR Wood, DR Merrill, M Falmbigl, DB Moore, J Ditto, M Esters, ... Chemistry of Materials 27 (17), 6067-6076, 2015 | 24 | 2015 |
| Charge Density Wave Transition in (PbSe)1+δ(VSe2)n Compounds with n = 1, 2, and 3 OK Hite, M Falmbigl, MB Alemayehu, M Esters, SR Wood, DC Johnson Chemistry of Materials 29 (13), 5646-5653, 2017 | 21 | 2017 |
| Chemical modeling of mixed occupations and site preferences in anisotropic crystal structures: case of complex intermetallic borides VL Deringer, C Goerens, M Esters, R Dronskowski, BPT Fokwa Inorganic Chemistry 51 (10), 5677-5685, 2012 | 21 | 2012 |