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Hf32O64
HfO2
A2B
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MD_3220989785209901592711512
2024-08-16T14:51:40
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[ "sait_semiconductors__HfO__Trainset_15976", "sait_semiconductors__HfO_raw__Random__6_10008" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:15:08
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CO_1000303607059861828797673
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
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2024-01-10T08:52:58
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CC-BY-4.0
{'source-publication': 'https://openreview.net/forum?id=hr9Bd1A9Un', 'source-data': 'https://github.com/SAITPublic/MLFF-Framework', 'other': None}
10.60732/495b736b
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DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
Hf32O64
HfO2
A2B
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DFT-PBE
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MD_3220989785209901592711512
2024-08-16T14:55:32
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[ "sait_semiconductors__HfO__Trainset_25553", "sait_semiconductors__HfO_raw__Random__10_1471" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:11:54
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CO_1000448775142580160476625
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
[ "Hf", "O" ]
2
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2024-01-10T08:52:58
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CC-BY-4.0
{'source-publication': 'https://openreview.net/forum?id=hr9Bd1A9Un', 'source-data': 'https://github.com/SAITPublic/MLFF-Framework', 'other': None}
10.60732/495b736b
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DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
Hf32O64
HfO2
A2B
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[ "Hf", "O" ]
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MD_3220989785209901592711512
2024-08-16T15:17:48
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[ "sait_semiconductors__HfO__Trainset_14059", "sait_semiconductors__HfO_raw__Random__6_319" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:13:28
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CO_1000543838991849857471431
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
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{'source-publication': 'https://openreview.net/forum?id=hr9Bd1A9Un', 'source-data': 'https://github.com/SAITPublic/MLFF-Framework', 'other': None}
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DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
Hf32O64
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MD_3220989785209901592711512
2024-08-16T14:43:26
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[ "sait_semiconductors__HfO__Trainset_1792", "sait_semiconductors__HfO_raw__Crystal__1_8486" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:10:39
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SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
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2024-08-16T14:13:51
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[ "sait_semiconductors__HfO__Trainset_7875", "sait_semiconductors__HfO_raw__Crystal__3_12102" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:08:36
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CO_1000710915077333670988171
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
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{'source-publication': 'https://openreview.net/forum?id=hr9Bd1A9Un', 'source-data': 'https://github.com/SAITPublic/MLFF-Framework', 'other': None}
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DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
Hf32O64
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MD_3220989785209901592711512
2024-08-16T14:43:26
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[ "sait_semiconductors__HfO__Trainset_14241", "sait_semiconductors__HfO_raw__Random__6_988" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:13:31
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CO_1000764856776951714774322
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
[ "Hf", "O" ]
2
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2024-01-10T08:52:58
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2024
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CC-BY-4.0
{'source-publication': 'https://openreview.net/forum?id=hr9Bd1A9Un', 'source-data': 'https://github.com/SAITPublic/MLFF-Framework', 'other': None}
10.60732/495b736b
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DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
Hf32O64
HfO2
A2B
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[ "Hf", "O" ]
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2024-08-16T14:30:20
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[ "sait_semiconductors__HfO__Trainset_17617", "sait_semiconductors__HfO_raw__Random__7_3152" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:17:51
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CO_1000827749972452374338686
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
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{'source-publication': 'https://openreview.net/forum?id=hr9Bd1A9Un', 'source-data': 'https://github.com/SAITPublic/MLFF-Framework', 'other': None}
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DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
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2024-08-16T15:23:50
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[ "sait_semiconductors__HfO__Trainset_10860", "sait_semiconductors__HfO_raw__Crystal__4_13594" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:14:51
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CO_1001046076021029347268777
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
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DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
Hf32O64
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MD_3220989785209901592711512
2024-08-16T15:28:30
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[ "sait_semiconductors__HfO__Trainset_16545", "sait_semiconductors__HfO_raw__Random__6_14236" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:15:27
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CO_1001066189372165731301995
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
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2024-01-10T08:52:58
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CC-BY-4.0
{'source-publication': 'https://openreview.net/forum?id=hr9Bd1A9Un', 'source-data': 'https://github.com/SAITPublic/MLFF-Framework', 'other': None}
10.60732/495b736b
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DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
Hf32O64
HfO2
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DFT-PBE
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MD_3220989785209901592711512
2024-08-16T14:37:47
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[ "sait_semiconductors__HfO__Trainset_1588", "sait_semiconductors__HfO_raw__Crystal__1_6920" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:10:34
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CO_1001121303353967306862209
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
[ "Hf", "O" ]
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2024-01-10T08:52:58
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CC-BY-4.0
{'source-publication': 'https://openreview.net/forum?id=hr9Bd1A9Un', 'source-data': 'https://github.com/SAITPublic/MLFF-Framework', 'other': None}
10.60732/495b736b
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DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
Hf32O64
HfO2
A2B
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[ "Hf", "O" ]
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MD_3220989785209901592711512
2024-08-16T14:14:27
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[ "sait_semiconductors__HfO__Trainset_6371", "sait_semiconductors__HfO_raw__Crystal__3_2906" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:07:57
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CO_1001235508986284610870739
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
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{'source-publication': 'https://openreview.net/forum?id=hr9Bd1A9Un', 'source-data': 'https://github.com/SAITPublic/MLFF-Framework', 'other': None}
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DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
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MD_3220989785209901592711512
2024-08-16T15:14:42
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[ "sait_semiconductors__HfO__Trainset_16796", "sait_semiconductors__HfO_raw__Random__7_88" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:15:38
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CO_1001397862138872519518145
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
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DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
Hf32O64
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MD_3220989785209901592711512
2024-08-16T15:05:33
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[ "sait_semiconductors__HfO__Trainset_13999", "sait_semiconductors__HfO_raw__Random__6_94" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:13:27
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CO_1001450742312697492214624
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
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2
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2,684,160
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27,958
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2024-01-10T08:52:58
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CC-BY-4.0
{'source-publication': 'https://openreview.net/forum?id=hr9Bd1A9Un', 'source-data': 'https://github.com/SAITPublic/MLFF-Framework', 'other': None}
10.60732/495b736b
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DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
Hf32O64
HfO2
A2B
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MD_3220989785209901592711512
2024-08-16T14:55:23
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[ "sait_semiconductors__HfO__Trainset_16077", "sait_semiconductors__HfO_raw__Random__6_10776" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:15:11
10017218111385399713575361244374556585302903156791857924788844405395856419666989545816933341141164100435476267984078915486600692119749766236894686621476898
CO_1001721811138539971357536
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
[ "Hf", "O" ]
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2024-01-10T08:52:58
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CC-BY-4.0
{'source-publication': 'https://openreview.net/forum?id=hr9Bd1A9Un', 'source-data': 'https://github.com/SAITPublic/MLFF-Framework', 'other': None}
10.60732/495b736b
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DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
Hf32O64
HfO2
A2B
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2024-08-16T14:59:34
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[ "sait_semiconductors__HfO__Trainset_23017", "sait_semiconductors__HfO_raw__Random__9_2471" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:09:18
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CO_1001729182173018960145140
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
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{'source-publication': 'https://openreview.net/forum?id=hr9Bd1A9Un', 'source-data': 'https://github.com/SAITPublic/MLFF-Framework', 'other': None}
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DS_ppk44zeithjj_0
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MD_3220989785209901592711512
2024-08-16T15:15:47
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[ "sait_semiconductors__HfO__Trainset_8858", "sait_semiconductors__HfO_raw__Crystal__4_1776" ]
[ "DS_ekrypue10aay_0", "DS_ppk44zeithjj_0" ]
2024-01-10T14:14:01
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CO_1001787621119722896287933
SAIT_semiconductors_ACS_2023_HfO_train
[ "Geonu Kim", "Byunggook Na", "Gunhee Kim", "Hyuntae Cho", "Seung-Jin Kang", "Hee Sun Lee", "Saerom Choi", "Heejae Kim", "Seungwon Lee", "Yongdeok Kim" ]
Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.
[ "Hf", "O" ]
2
27,958
27,960
2,684,160
0
27,958
0
27,958
0
27,958
-907.658156
1,515.974108
0
2024-01-10T08:52:58
[ [ 1, 1, 1 ] ]
[ 3 ]
2024
[ 0.3333333333333333, 0.6666666666666666 ]
CC-BY-4.0
{'source-publication': 'https://openreview.net/forum?id=hr9Bd1A9Un', 'source-data': 'https://github.com/SAITPublic/MLFF-Framework', 'other': None}
10.60732/495b736b
3293596282163900407733613836674191844225928959401207249304787244757835115614447973365867873328790383706961437530213270207981775875289526860871211073534649
DS_ppk44zeithjj_0
SAIT_semiconductors_ACS_2023_HfO_train__Kim-Na-Kim-Cho-Kang-Lee-Choi-Kim-Lee-Kim__DS_ppk44zeithjj_0
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Dataset

SAIT semiconductors ACS 2023 HfO train

Description

Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects.

Additional details stored in dataset columns prepended with "dataset_".

Dataset authors

Geonu Kim, Byunggook Na, Gunhee Kim, Hyuntae Cho, Seung-Jin Kang, Hee Sun Lee, Saerom Choi, Heejae Kim, Seungwon Lee, Yongdeok Kim

Publication

https://openreview.net/forum?id=hr9Bd1A9Un

Original data link

https://github.com/SAITPublic/MLFF-Framework

License

CC-BY-4.0

Number of unique molecular configurations

27960

Number of atoms

2684160

Elements included

Hf, O

Properties included

energy, atomic forces, cauchy stress

Cite this dataset

Kim, G., Na, B., Kim, G., Cho, H., Kang, S., Lee, H. S., Choi, S., Kim, H., Lee, S., and Kim, Y. SAIT semiconductors ACS 2023 HfO train. ColabFit, 2024. https://doi.org/10.60732/495b736b

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