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Issue DateTitleAuthor(s)
28-May-2022Stabilizing superconductivity of ternary metal pentahydride CaCH 5 via electronic topological transitions under high pressure from first principles evolutionary algorithmTsuppayakorn-aek, P.; Phaisangittisakul, N.; Ahuja, R.; Bovornratanaraks, T.
29-May-2022Roles of optical phonons and logarithmic profile of electron-phonon coupling integration in superconducting Sc0.5Y0.5H6 superhydride under pressuresSukmas, W.; Tsuppayakorn-aek, P.; Pinsook, U.; Ahuja, R.; Bovornratanaraks, T.
22-Sep-2022Existence of yttrium allotrope with incommensurate host–guest structure at moderate pressure: First evidence from computational approachTsuppayakorn-aek, P.; Bovornratanaraks, T.; Ahuja, R.; Bovornratanaraks, T.; Luo, W.
22-Sep-2022High-Pressure Structural Transformation Pathway and Electronic Properties of AgGaTe2: Ab Initio Evolutionary Structural SearchingKotmool, K.; Tsuppayakorn-aek, P.; Luo, W.; Ahuja, R.; Bovornratanaraks, T.
9-Dec-2022Electronic topological transitions and mechanical properties of hafnium dioxide allotrope at high pressure: Evolutionary first-principles techniquesBovornratanaraks, T.; Ahuja, R.; Luo, W.; Tsuppayakorn-aek, P.
30-Oct-2022Lattice dynamic stability and electronic structures of ternary hydrides La1 xYxH3 via first-principles cluster expansionTsuppayakorn-aek, P.; Sukmas, W.; Pluengphon, P.; Inceesungvorn, B.; Phansuke, P.; Kaewtubtim, P.; Ahuja, R.; Bovornratanaraks, T.; Luo, W.
19-Jul-2022TM dopant-induced H-vacancy diffusion kinetics of sodium-lithium alanates: Ab initio study for hydrogen storage improvementPluengphon, P.; Tsuppayakorn-aek, P.; Sukmas, W.; Inceesungvorn, B.; Ahuja, R.; Bovornratanaraks, T.
27-Sep-2022Superconducting Gap of Pressure Stabilized (Al0.5Zr0.5)H3 from Ab Initio Anisotropic Migdal−Eliashberg TheoryTsuppayakorn-aek, P.; Bovornratanaraks, T.; Ahuja, R.

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