First-principles calculations of pure elements: Equations of state and elastic stiffness constants SL Shang, A Saengdeejing, ZG Mei, DE Kim, H Zhang, S Ganeshan, ... Computational Materials Science 48 (4), 813-826, 2010 | 235 | 2010 |

Enthalpies of formation of magnesium compounds from first-principles calculations H Zhang, S Shang, JE Saal, A Saengdeejing, Y Wang, LQ Chen, ZK Liu Intermetallics 17 (11), 878-885, 2009 | 155 | 2009 |

First-principles calculations of the elastic, phonon and thermodynamic properties of Al12Mg17 H Zhang, SL Shang, Y Wang, A Saengdeejing, LQ Chen, ZK Liu Acta Materialia 58 (11), 4012-4018, 2010 | 87 | 2010 |

Broken symmetry, strong correlation, and splitting between longitudinal and transverse optical phonons of MnO and NiO from first principles Y Wang, JE Saal, JJ Wang, A Saengdeejing, SL Shang, LQ Chen, ZK Liu Physical Review B 82 (8), 081104, 2010 | 32 | 2010 |

Effects of carbon in thin films: Intrinsic or extrinsic A Saengdeejing, JE Saal, Y Wang, ZK Liu Applied physics letters 90 (15), 151920, 2007 | 22 | 2007 |

First-principles calculations and thermodynamic re-modeling of the Hf–W system AC Lieser, CL Zacherl, A Saengdeejing, ZK Liu, LJ Kecskes Calphad 38, 92-99, 2012 | 18 | 2012 |

Defects in boron carbide: First-principles calculations and CALPHAD modeling A Saengdeejing, JE Saal, VR Manga, ZK Liu Acta materialia 60 (20), 7207-7215, 2012 | 14 | 2012 |

Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations CL Zacherl, SL Shang, A Saengdeejing, ZK Liu Calphad 38, 71-80, 2012 | 14 | 2012 |

First-principles study on the dilute Si in bcc Fe: electronic and elastic properties up to 12.5 at.% Si A Saengdeejing, Y Chen, K Suzuki, H Miura, T Mohri Computational materials science 70, 100-106, 2013 | 13 | 2013 |

Mechanical properties of Fe-rich Si alloy from Hamiltonian T Mohri, Y Chen, M Kohyama, S Ogata, A Saengdeejing, SK Bhattacharya, ... npj Computational Materials 3 (1), 1-14, 2017 | 11 | 2017 |

Glass formability of W-based alloys through thermodynamic modeling: W–Fe–Hf–Pd–Ta and W–Fe–Si–C YJ Hu, AC Lieser, A Saengdeejing, ZK Liu, LJ Kecskes Intermetallics 48, 79-85, 2014 | 10 | 2014 |

Formation of the Face-Centered Cubic (FCC)-NdO_{x} Phase at Nd/Nd-Fe-B Interface: A First-Principles ModelingY Chen, A Saengdeejing, M Matsuura, S Sugimoto JOM 66 (7), 1133-1137, 2014 | 9 | 2014 |

Formation of the Face-Centered Cubic (FCC)-NdO_{x} Phase at Nd/Nd-Fe-B Interface: A First-Principles ModelingY Chen, A Saengdeejing, M Matsuura, S Sugimoto JOM 66 (7), 1133-1137, 2014 | 9 | 2014 |

Long-range topological correlations of real polycrystalline grains in two dimensions H Wang, G Liu, Y Chen, A Saengdeejing, H Miura, K Suzuki Materials characterization 97, 178-182, 2014 | 8 | 2014 |

Structural and thermodynamic properties of compounds in the Mg–B–C system from first-principles calculations A Saengdeejing, Y Wang, ZK Liu Intermetallics 18 (5), 803-808, 2010 | 8 | 2010 |

First‐principles Study of Stability of Cu in the Nd‐rich and Nd Oxide Phases of Nd‐Fe‐B Permanent Magnet A Saengdeejing, Y Chen, M Matsuura, S Sugimoto Journal of the Chinese Chemical Society 63 (6), 506-512, 2016 | 6 | 2016 |

Mechanical properties of Fe rich Fe–Si alloys: ab initio local bulk-modulus viewpoint SK Bhattacharya, M Kohyama, S Tanaka, Y Shiihara, A Saengdeejing, ... Materials Research Express 4 (11), 116518, 2017 | 4 | 2017 |

Thermodynamic modeling of the Ni–H system N Bourgeois, JC Crivello, A Saengdeejing, Y Chen, P Cenedese, ... The Journal of Physical Chemistry C 119 (43), 24546-24557, 2015 | 4 | 2015 |

Experimental and computational studies of the Cu–Hf binary system Y Zhong, A Saengdeejing, L Kecskes, B Klotz, ZK Liu Acta materialia 61 (2), 660-669, 2013 | 4 | 2013 |

First-principles analysis of the inhibitive effect of interstitial carbon on an active dissolution of martensitic steel M Kadowaki, A Saengdeejing, I Muto, Y Chen, H Masuda, H Katayama, ... Corrosion Science 163, 108251, 2020 | 2 | 2020 |