ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
248
249
250
251
252
253
254
...
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_bcc_111	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-7.53744567; eV
	22-Mar-2023	/ini_data_source/Cu/bulk_MD 500K_hcp1_444	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-960.82457062; eV
	22-Mar-2023	/ini_data_source/Cu/bulk_MD 500K_hcp1_333	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-405.41774789; eV
	22-Mar-2023	/ini_data_source/Cu/bulk_MD 500K_hcp1_222	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-119.69310726; eV
	22-Mar-2023	/ini_data_source/Cu/bulk_MD 500K_hcp1_111	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-15.08518621; eV
	22-Mar-2023	/ini_data_source/Cu/bulk_MD 300K_bcc_333	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-202.97909048; eV
	22-Mar-2023	/ini_data_source/Cu/bulk_MD 300K_bcc_444	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-480.86665723; eV
	22-Mar-2023	/ini_data_source/Cu/bulk_MD 300K_bcc_222	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-59.89507078; eV
	22-Mar-2023	/NNP_application/Odes 636	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	22-Mar-2023	/NNP_application/Odes 637	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-

Results 2501-2510 of 6322 (Search time: 0.002 seconds).