Efficient stochastic generation of special quasirandom structures A Van de Walle, P Tiwary, M De Jong, DL Olmsted, M Asta, A Dick, D Shin, ... Calphad 42, 13-18, 2013 | 1267 | 2013 |
Charting the complete elastic properties of inorganic crystalline compounds M de Jong, W Chen, T Angsten, A Jain, R Notestine, A Gamst, M Sluiter, ... Scientific Data 2, 2015 | 1003 | 2015 |
A database to enable discovery and design of piezoelectric materials M De Jong, W Chen, H Geerlings, M Asta, KA Persson Scientific data 2 (1), 1-13, 2015 | 290 | 2015 |
High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model C Toher, JJ Plata, O Levy, M De Jong, M Asta, MB Nardelli, S Curtarolo Physical Review B 90 (17), 174107, 2014 | 284 | 2014 |
A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds M De Jong, W Chen, R Notestine, K Persson, G Ceder, A Jain, M Asta, ... Scientific reports 6 (1), 34256, 2016 | 255 | 2016 |
Computational prediction of new auxetic materials J Dagdelen, J Montoya, M De Jong, K Persson Nature communications 8 (1), 323, 2017 | 146 | 2017 |
First-principles and machine learning predictions of elasticity in severely lattice-distorted high-entropy alloys with experimental validation G Kim, H Diao, C Lee, AT Samaei, T Phan, M de Jong, K An, D Ma, ... Acta Materialia 181, 124-138, 2019 | 136 | 2019 |
Elastic constants of polycrystals with generally anisotropic crystals CM Kube, M De Jong Journal of Applied Physics 120 (16), 2016 | 111 | 2016 |
Predicting densities and elastic moduli of SiO2-based glasses by machine learning YJ Hu, G Zhao, M Zhang, B Bin, T Del Rose, Q Zhao, Q Zu, Y Chen, X Sun, ... Npj computational materials 6 (1), 25, 2020 | 86 | 2020 |
An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library JJ Plata, P Nath, D Usanmaz, J Carrete, C Toher, M Jong, M Asta, ... npj Computational Materials 3 (1), 45, 2017 | 80 | 2017 |
Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids C Toher, C Oses, JJ Plata, D Hicks, F Rose, O Levy, M de Jong, M Asta, ... Physical Review Materials 1 (1), 015401, 2017 | 76 | 2017 |
Ideal strength and ductility in metals from second-and third-order elastic constants M De Jong, I Winter, DC Chrzan, M Asta Physical Review B 96 (1), 014105, 2017 | 45 | 2017 |
First-principles study of the structural and elastic properties of rhenium-based transition-metal alloys M de Jong, DL Olmsted, A van de Walle, M Asta Physical Review B—Condensed Matter and Materials Physics 86 (22), 224101, 2012 | 30 | 2012 |
Electronic origins of anomalous twin boundary energies in hexagonal close packed transition metals M de Jong, J Kacher, MHF Sluiter, L Qi, DL Olmsted, A Van de Walle, ... Physical review letters 115 (6), 065501, 2015 | 28 | 2015 |
Calculations of planar defect energies in substitutional alloys using the special-quasirandom-structure approach M De Jong, L Qi, DL Olmsted, A van de Walle, M Asta Physical Review B 93 (9), 094101, 2016 | 24 | 2016 |
Intrinsic ductility of random substitutional alloys from nonlinear elasticity theory IS Winter, M De Jong, J Montoya, E Rothchild, DC Chrzan Physical Review Materials 3 (11), 113608, 2019 | 14 | 2019 |
Computing elastic anisotropy to discover gum-metal-like structural alloys IS Winter, M de Jong, M Asta, DC Chrzan Physical Review Materials 1 (3), 030601, 2017 | 10 | 2017 |
Ab-initio modeling of metastable precipitation processes in aluminum 7xxx alloys M de Jong, S van der Zwaag, M Sluiter International journal of materials research 103 (8), 972-979, 2012 | 7 | 2012 |
First-principles and genetic modelling of precipitation sequences in aluminium alloys M De Jong, RK Dutta, MHF Sluiter, AG Miroux, S van der Zwaag, ... Solid State Phenomena 172, 285-290, 2011 | 7 | 2011 |
Predicting the lattice thermal conductivity of solids by solving the Boltzmann transport equation: AFLOW-AAPL an automated, accurate and effcient framework JJ Plata, D Usanmaz, P Nath, C Toher, J Carrete, M Asta, M de Jong, ... arXiv preprint arXiv:1611.05481, 2016 | 5 | 2016 |