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
151 2022 Dynamic instabilities in strongly correlated 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 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 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
52 2022 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 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 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 