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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Jan-2026	/MDs/5nm/300K cubic	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	16-Jan-2026	/FG_dataset/group2/rh/111 rh-4a12-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-414.76868984; eV
	2-Dec-2025	/Ab-inito-molecular-dynamics/In(OH)3-m-HfO2/In(OH)3-m-HfO2-vac In(OH)₃-m-HfO₂-vac-part3	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Ab-Initio Molecular Dynamics	DFT	-	-1948.18038746; eV
	2-Dec-2025	/Reaction_Pathway_on_Pdcav_Pd-pyPPC Ph_PhBOH3	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1177.06359483; eV
	2-Dec-2025	/Reaction_Pathway_on_Pdcav_Pd-pyPPC Ph_Ph	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1136.52465530; eV
	2-Dec-2025	/Interlayer_Spacing/1Pd_cav_1Pd_pore L2_L2	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-728.54870537; eV
	2-Dec-2025	/Interlayer_Spacing/1Pd_pore L3	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-718.17864799; eV
	19-Jan-2026	/MDs/2.5nm/vacancy/bulk0.05 sphere	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	19-Jan-2026	/MDs/5nm/Odoping/bulk wuff	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	19-Jan-2026	/MDs/2.5nm/300K sphere	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-

Results 97441-97450 of 103542 (Search time: 0.059 seconds).