| The alloy theoretic automated toolkit: A user guide A Van De Walle, M Asta, G Ceder Calphad 26 (4), 539-553, 2002 | 1884 | 2002 |
| 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 | 1697 | 2013 |
| Development of new interatomic potentials appropriate for crystalline and liquid iron MI Mendelev, S Han, DJ Srolovitz, GJ Ackland, DY Sun, M Asta Philosophical magazine 83 (35), 3977-3994, 2003 | 1667 | 2003 |
| Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries F Lin, IM Markus, D Nordlund, TC Weng, MD Asta, HL Xin, MM Doeff Nature communications 5 (1), 3529, 2014 | 1629 | 2014 |
| Lead-free halide perovskite solar cells with high photocurrents realized through vacancy modulation. MH Kumar, S Dharani, WL Leong, PP Boix, RR Prabhakar, T Baikie, C Shi, ... Advanced Materials (Deerfield Beach, Fla.) 26 (41), 7122-7127, 2014 | 1348 | 2014 |
| Lead-free germanium iodide perovskite materials for photovoltaic applications T Krishnamoorthy, H Ding, C Yan, WL Leong, T Baikie, Z Zhang, ... Journal of Materials Chemistry A 3 (47), 23829-23832, 2015 | 1269 | 2015 |
| Short-range order and its impact on the CrCoNi medium-entropy alloy R Zhang, S Zhao, J Ding, Y Chong, T Jia, C Ophus, M Asta, RO Ritchie, ... Nature 581 (7808), 283-287, 2020 | 1248 | 2020 |
| 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 (1), 1-13, 2015 | 1238 | 2015 |
| Matminer: An open source toolkit for materials data mining L Ward, A Dunn, A Faghaninia, NER Zimmermann, S Bajaj, Q Wang, ... Computational Materials Science 152, 60-69, 2018 | 1087 | 2018 |
| Solidification microstructures and solid-state parallels: Recent developments, future directions M Asta, C Beckermann, A Karma, W Kurz, R Napolitano, M Plapp, ... Acta Materialia 57 (4), 941-971, 2009 | 854 | 2009 |
| Tunable stacking fault energies by tailoring local chemical order in CrCoNi medium-entropy alloys J Ding, Q Yu, M Asta, RO Ritchie Proceedings of the National Academy of Sciences 115 (36), 8919-8924, 2018 | 809 | 2018 |
| A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023 | 642 | 2023 |
| First-principles theory of ionic diffusion with nondilute carriers A Van der Ven, G Ceder, M Asta, PD Tepesch Physical Review B 64 (18), 184307, 2001 | 624 | 2001 |
| Atomistic modeling of interfaces and their impact on microstructure and properties Y Mishin, M Asta, J Li Acta Materialia 58 (4), 1117-1151, 2010 | 617 | 2010 |
| Method for computing the anisotropy of the solid-liquid interfacial free energy JJ Hoyt, M Asta, A Karma Physical review letters 86 (24), 5530, 2001 | 613 | 2001 |
| Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu MI Mendelev, MJ Kramer, CA Becker, M Asta Philosophical Magazine 88 (12), 1723-1750, 2008 | 597 | 2008 |
| Crystal-melt interfacial free energies in hcp metals: A molecular dynamics study of Mg DY Sun, MI Mendelev, CA Becker, K Kudin, T Haxhimali, M Asta, JJ Hoyt, ... Physical Review B—Condensed Matter and Materials Physics 73 (2), 024116, 2006 | 511 | 2006 |
| Atomistic and continuum modeling of dendritic solidification JJ Hoyt, M Asta, A Karma Materials Science and Engineering: R: Reports 41 (6), 121-163, 2003 | 502 | 2003 |
| Structural phase transformations in metallic grain boundaries T Frolov, DL Olmsted, M Asta, Y Mishin Nature communications 4 (1), 1899, 2013 | 478 | 2013 |
| Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic properties and phase diagrams A Van De Walle, M Asta Modelling and Simulation in Materials Science and Engineering 10 (5), 521, 2002 | 466 | 2002 |
