ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
273
274
275
276
277
278
279
...
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/Cu/bulk_MD 700K_hcp2_222	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-60.04858633; eV
	22-Mar-2023	/ini_data_source/Cu/bulk_MD 700K_hcp1_222	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-122.08251387; eV
	22-Mar-2023	/ini_data_source/Cu/bulk_MD 700K_hcp1_333	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-403.46110577; eV
	22-Mar-2023	/ini_data_source/Cu/bulk_MD 700K_hcp1_111	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-14.90467620; eV
	22-Mar-2023	/ini_data_source/Cu/bulk_MD 700K_fcc_444	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-954.23377984; eV
	22-Mar-2023	/ini_data_source/Cu/bulk_MD 500K_fcc_222	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-120.50903896; eV
	22-Mar-2023	/ini_data_source/Cu/bulk_MD 500K_fcc_111	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-15.11101805; eV
	22-Mar-2023	/NNP_application/Odes 639	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	22-Mar-2023	/NNP_application/Odes 64	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	22-Mar-2023	/NNP_application/Odes 638	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-

Results 2751-2760 of 6322 (Search time: 0.002 seconds).