ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
114
115
116
117
118
119
120
...
633
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Mar-2023	/ini_data_source/CuxO/adO/100 POSCAR_1_3	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-167.20051010; eV
	22-Mar-2023	/ini_data_source/CuxO/adO/100 POSCAR_1_2	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-168.39514515; eV
	22-Mar-2023	/ini_data_source/CuxO/adO/100 POSCAR_1_1	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-166.57156538; eV
	8-Nov-2023	/NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 4	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	8-Nov-2023	/NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 5	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	8-Nov-2023	/NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 3	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	6-Nov-2023	/NNP_application/annealing_convergence_test/time_at_high_temperature/8ns 38	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	6-Nov-2023	/NNP_application/annealing_convergence_test/time_at_high_temperature/8ns 43	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	6-Nov-2023	/NNP_application/annealing_convergence_test/time_at_high_temperature/8ns 28	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	6-Nov-2023	/NNP_application/annealing_convergence_test/time_at_high_temperature/8ns 33	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-

Results 1161-1170 of 6322 (Search time: 0.002 seconds).