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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jan-2026	/MDs/7.5nm/vacancy/bulk0.05 cubic	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	16-Jan-2026	/FG_dataset/group2/ni/111 ni-2612-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-298.46214438; eV
	1-Jun-2024	/Slabs/Pristine r-TiO₂(110)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Bulks/Alloys Ce₇Pd₃	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Bulks/Alloys Ce₃Pd₄	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Bulks/Alloys In₃Pd₂	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Bulks/Alloys CePd	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Bulks/Alloys InPd	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/PMoW P00Mo01W05O21-2H-iso-18	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.18283694; Eh
	19-Mar-2026	/PMoW P01Mo01W05O22-0H-iso-96	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.30347019; Eh

Results 99241-99250 of 103542 (Search time: 0.067 seconds).