| Issue Date | Title | Author(s) |
| 2018 | An ab initio study on stacking and stability of TiAl 3 phases | Fang, C; Fan, Z |
| 31-Oct-2014 | The accurate calculation of the band gap of liquid water by means of GW corrections applied to plane-wave density functional theory molecular dynamics simulations | Fang, C; Li, W-F; Koster, RS; Klimeš, J; van Blaaderen, A; van Huis, MA |
| 2016 | Acetate ligands determine the crystal structure of CdSe nanoplatelets - a density functional theory study. | Koster, RS; Fang, C; van Blaaderen, A; Dijkstra, M; van Huis, MA |
| 2017 | The critical assessment of data for Al-Fe based intermetallic phases formed during solidification of aluminium alloys | Dinsdale, AT; Fang, C; Fan, Z; Khvan, ZV |
| 2018 | Direct observation of Eu atoms in AlN lattice and the first-principles simulations | Fang, C |
| 2017 | A doping-less junction-formation mechanism between n-silicon and an atomically thin boron layer | Fang, C; Mohammadi, V; Nihtianov, S |
| 2017 | Effect of substrate chemistry on prenucleation by ab initio MD simulation | Fang, C; Men, H; Fan, Z |
| 2018 | A first-principles study of the formation of atomically rough {111} MgO surface and its effect on prenucleation of Mg | Fang, C; Fan, Z |
| 11-Jan-2019 | Intrinsic defects in and electronic properties of θ-Al13Fe4: an ab initio DFT study | Fang, C |
| 1-Nov-2018 | Mechanism for Zr poisoning of Al-Ti-B based grain refiners | Wang, Y; Fang, C; Zhou, L; Hashimoto, T; Zhou, X; Ramasse, QM; Fan, Z |
| 2017 | New insights into solidification and phase equilibria in the Al-Al3Zr system: theoretical and experimental investigations | Eskin, D; Starodub, KF; Dinsdale, AT; Wang, F; Fang, C; Cheverikin, VV; Gorshenkov, MV |
| 9-Sep-2019 | Prenucleation at the liquid-Al/α-Al2O3 and the liquid-Al/MgO interfaces | Fang, C; Fan, Z |
| 2020 | Stability, geometry and electronic properties of BH<sub>n</sub> (n = 0 to 3) radicals on the Si{0 0 1}3×1:H surface from first-principles | Fang, C; Mohammodi, V; Nihtianov, S; Sluiter, M |
| 2017 | Stability, local structure and electronic properties of borane radicals on the Si(1 0 0) | Fang, C; Mohammadi, V; Nihtianov, S; Sluiter, MHF |
| 2017 | Structure and stability of hcp iron carbide precipitates: A first-principles study | Fang, C; van Huis, MA |
| 6-Mar-2019 | Understanding the Thermodynamics and Crystal Structure of Complex Fe Containing Intermetallic Phases Formed on Solidification of Aluminium Alloys | Dinsdale, A; Fang, C; Que, Z; Fan, Z |
