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source/_data/pub.bib

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@@ -7,6 +7,7 @@ @Article{Achar_JPhysChemC_2021_v125_p14874
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issue = 27,
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pages = {14874--14882},
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doi = {10.1021/acs.jpcc.1c01411},
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image = {https://pubs.acs.org/cms/10.1021/acs.jpcc.1c01411/asset/images/medium/jp1c01411_0012.gif},
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}
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@Article{Bonati_PhysRevLett_2018_v121_p265701,
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author = {Luigi Bonati and Michele Parrinello},
@@ -45,7 +46,7 @@ @Article{CalegariAndrade_ChemSci_2020_v11_p2335
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author = {Marcos F {Calegari Andrade} and Hsin-Yu Ko and Linfeng Zhang and
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Roberto Car and Annabella Selloni},
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title = {{Free energy of proton transfer at the
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water{$\textendash$}TiO<sub>2</sub> interface from <i>ab initio</i> deep
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water{-}TiO<sub>2</sub> interface from <i>ab initio</i> deep
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potential molecular dynamics}},
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journal = {Chem. Sci.},
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year = 2020,
@@ -105,6 +106,7 @@ @Article{Chen_ACSNano_2021_v15_p12418
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heterostructured nanohybrid electrocatalysts for a diversity of
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electrochemical reactions.},
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doi = {10.1021/acsnano.1c04715},
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image = {https://pubs.acs.org/cms/10.1021/acsnano.1c04715/asset/images/medium/nn1c04715_0004.gif},
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}
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@Article{Chen_JPhysChemLett_2018_v9_p6702,
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author = {Wen-Kai Chen and Xiang-Yang Liu and Wei-Hai Fang and Pavlo O Dral and
@@ -131,6 +133,7 @@ @Article{Chen_JPhysChemLett_2018_v9_p6702
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potential energy surfaces and nonadiabatic dynamics of polyatomic
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molecules.},
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doi = {10.1021/acs.jpclett.8b03026},
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image = {https://pubs.acs.org/cms/10.1021/acs.jpclett.8b03026/asset/images/medium/jz-2018-03026r_0008.gif},
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}
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@Article{Dai_JournalofMaterialsScienceTechnology_2020_v43_p168,
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author = {Fu-Zhi Dai and Bo Wen and Yinjie Sun and Huimin Xiang and Yanchun Zhou},
@@ -141,6 +144,7 @@ @Article{Dai_JournalofMaterialsScienceTechnology_2020_v43_p168
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volume = 43,
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pages = {168--174},
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doi = {10.1016/j.jmst.2020.01.005},
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image = {https://ars.els-cdn.com/content/image/1-s2.0-S1005030220300050-gr1.jpg},
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}
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@Article{Ding_MaterialsScienceinSemiconductorProcessing_2022_v143_p106513,
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author = {Xi Ding and Ming Tao and Junhua Li and Mingyuan Li and Mengchao Shi
@@ -152,6 +156,7 @@ @Article{Ding_MaterialsScienceinSemiconductorProcessing_2022_v143_p106513
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volume = 143,
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pages = 106513,
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doi = {10.1016/j.mssp.2022.106513},
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image = {https://ars.els-cdn.com/content/image/1-s2.0-S1369800122000610-gr1.jpg},
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}
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@Article{Huang_JChemPhys_2021_v154_p094703,
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author = {Jianxing Huang and Linfeng Zhang and Han Wang and Jinbao Zhao and Jun
@@ -185,6 +190,7 @@ @Article{Huang_JChemPhys_2021_v154_p094703
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way for further research on computation screening of solid-state
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electrolyte materials.},
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doi = {10.1063/5.0041849},
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image = {https://aip.scitation.org/na101/home/literatum/publisher/aip/journals/content/jcp/2021/jcp.2021.154.issue-9/5.0041849/20210228/images/small/5.0041849.figures.online.f1.gif},
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}
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@Article{Jiao_AdvSci_2022_v9_pe2105574,
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author = {Junyu Jiao and Genming Lai and Liang Zhao and Jiaze Lu and Qidong Li
@@ -211,19 +217,21 @@ @Article{Jiao_AdvSci_2022_v9_pe2105574
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the formation of dendrite-free Li.},
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PMCID = {PMC9036043},
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doi = {10.1002/advs.202105574},
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image = {https://onlinelibrary.wiley.com/cms/asset/0d3b53e9-52aa-4247-bdee-c1b6d5a70854/advs3655-fig-0001-m.png},
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}
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@Article{Li_ApplPhysLett_2020_v117_p152102,
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author = {Ruiyang Li and Zeyu Liu and Andrew Rohskopf and Kiarash Gordiz and
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Asegun Henry and Eungkyu Lee and Tengfei Luo},
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title = {{A deep neural network interatomic potential for studying thermal
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conductivity of
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<b><i>{$\ensuremath{\beta}$}</i></b>-Ga<sub>2</sub>O<sub>3</sub>}},
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<b><i>{${\beta}$}</i></b>-Ga<sub>2</sub>O<sub>3</sub>}},
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journal = {Appl. Phys. Lett.},
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year = 2020,
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volume = 117,
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issue = 15,
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pages = 152102,
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doi = {10.1063/5.0025051},
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image = {https://aip.scitation.org/na101/home/literatum/publisher/aip/journals/content/apl/2020/apl.2020.117.issue-15/5.0025051/20201014/images/medium/5.0025051.figures.online.f1.jpg},
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}
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@Article{Liu_JPhysCondensMatter_2020_v32_p144002,
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author = {Qianrui Liu and Denghui Lu and Mohan Chen},
@@ -252,6 +260,7 @@ @Article{Liu_JPhysCondensMatter_2020_v32_p144002
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is a powerful tool for accurately and efficiently simulating warm
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dense matter.},
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doi = {10.1088/1361-648X/ab5890},
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image = {https://cfn-live-content-bucket-iop-org.s3.amazonaws.com/journals/0953-8984/32/14/144002/revision2/cmab5890f01_online.jpg?AWSAccessKeyId=AKIAYDKQL6LTV7YY2HIK&Expires=1652065965&Signature=FwU20SWiIM9sQRNnDUSjVHvA7dw%3D},
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}
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@Article{Niu_NatCommun_2020_v11_p2654,
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author = {Haiyang Niu and Luigi Bonati and Pablo M Piaggi and Michele Parrinello},
@@ -315,6 +324,7 @@ @Article{Pan_JChemTheoryComput_2021_v17_p5745
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profiles that differed by less than 1.0{\,}kcal/mol from the reference
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ai-QM/MM results at only a fraction of the computational cost.},
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doi = {10.1021/acs.jctc.1c00565},
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image = {https://pubs.acs.org/cms/10.1021/acs.jctc.1c00201/asset/images/medium/ct1c00201_0008.gif},
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}
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@Article{Sommers_PhysChemChemPhys_2020_v22_p10592,
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author = {Grace M {Sommers } and Marcos F
@@ -367,6 +377,7 @@ @Article{Tuo_JChemPhys_2020_v152_p114105
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demonstrate that machine-learning is indeed powerful in generating
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potentials to describe the interaction of atoms in complex materials.},
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doi = {10.1063/5.0001491},
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image = {https://aip.scitation.org/na101/home/literatum/publisher/aip/journals/content/jcp/2020/jcp.2020.152.issue-11/5.0001491/20200314/images/medium/5.0001491.figures.online.f1.jpg},
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}
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@Article{Wang_Carbon_2022_v186_p1,
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author = {Jinjin Wang and Hong Shen and Riyi Yang and Kun Xie and Chao Zhang and
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volume = 186,
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pages = {1--8},
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doi = {10.1016/j.carbon.2021.09.062},
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image = {https://ars.els-cdn.com/content/image/1-s2.0-S0008622321009635-ga1.jpg},
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}
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@Article{Wang_SoftMatter_2020_v16_p8330,
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author = {Shu Wang and Zhan Ma and Wenxiao Pan},
@@ -436,6 +448,7 @@ @Article{Yang_CatalysisToday_2022_v387_p143
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volume = 387,
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pages = {143--149},
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doi = {10.1016/j.cattod.2021.03.018},
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image = {https://ars.els-cdn.com/content/image/1-s2.0-S092058612100136X-ga1.jpg},
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}
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@Article{Zeng_NatCommun_2020_v11_p5713,
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author = {Jinzhe Zeng and Liqun Cao and Mingyuan Xu and Tong Zhu and John Z H
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issue = 1,
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pages = {762--769},
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doi = {10.1021/acs.energyfuels.0c03211},
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image = {https://pubs.acs.org/cms/10.1021/acs.energyfuels.0c03211/asset/images/medium/ef0c03211_0006.gif},
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}
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@Article{Zeng_JChemTheoryComput_2021_v17_p6993,
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ranging from drug discovery to enzyme design.},
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PMCID = {PMC8578402},
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doi = {10.1021/acs.jctc.1c00201},
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image = {https://pubs.acs.org/cms/10.1021/acs.jctc.1c00201/asset/images/medium/ct1c00201_0008.gif},
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}
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@Article{Wang_ComputerPhysicsCommunications_2018_v228_p178,
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volume = 228,
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pages = {178--184},
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doi = {10.1016/j.cpc.2018.03.016},
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image = {https://ars.els-cdn.com/content/image/1-s2.0-S0010465518300882-gr1.jpg},
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}
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@Article{Galib_Science_2021_v371_p921,
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author = {Mirza Galib and David T Limmer},
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title = {{Reactive uptake of N <sub>2</sub> O
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<sub>5</sub> by atmospheric aerosol is dominated by
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title = {{Reactive uptake of N<sub>2</sub>O<sub>5</sub>
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by atmospheric aerosol is dominated by
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interfacial processes}},
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journal = {Science},
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year = 2021,
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alternative interfacial reactive uptake model consistent with existing
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experimental observations.},
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doi = {10.1126/science.abd7716},
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image = {https://www.science.org/cms/10.1126/science.abd7716/asset/8ee6d825-ba38-4334-b309-b6c6c586eff3/assets/graphic/371_921_f1.jpeg},
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}
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@Article{Miyagawa_ComputationalMaterialsScience_2022_v206_p111303,
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However, its high sensitivity to environmental stimuli greatly reduces
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its safety and severely limits its application....</jats:p>},
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doi = {10.1039/D2CP00710J},
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image = {https://ars.els-cdn.com/content/image/1-s2.0-S0927025622000970-ga1.jpg},
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}
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@Article{Lu_ComputerPhysicsCommunications_2021_v259_p107624,
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author = {Denghui Lu and Han Wang and Mohan Chen and Lin Lin and Roberto Car and
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Weinan E and Weile Jia and Linfeng Zhang},
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title = {{86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million
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atoms with ab initio accuracy}},
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journal = {Computer Physics Communications},
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year = 2021,
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volume = 259,
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pages = 107624,
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doi = {10.1016/j.cpc.2020.107624},
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image = {https://ars.els-cdn.com/content/image/1-s2.0-S001046552030299X-gr1.jpg},
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}
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@Article{Zhang_ComputerPhysicsCommunications_2020_v253_p107206,
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author = {Yuzhi Zhang and Haidi Wang and Weijie Chen and Jinzhe Zeng and Linfeng
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Zhang and Han Wang and Weinan E},
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title = {{DP-GEN: A concurrent learning platform for the generation of reliable
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deep learning based potential energy models}},
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journal = {Computer Physics Communications},
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year = 2020,
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volume = 253,
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pages = 107206,
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doi = {10.1016/j.cpc.2020.107206},
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image = {https://ars.els-cdn.com/content/image/1-s2.0-S001046552030045X-gr1.jpg},
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}
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@Article{Zhang_PhysRevMaterials_2019_v3_p023804,
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author = {Linfeng Zhang and De-Ye Lin and Han Wang and Roberto Car and Weinan E},
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title = {{Active learning of uniformly accurate interatomic potentials for
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materials simulation}},
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journal = {Phys. Rev. Materials},
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year = 2019,
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volume = 3,
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issue = 2,
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pages = 023804,
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doi = {10.1103/PhysRevMaterials.3.023804},
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image = {https://journals.aps.org/prmaterials/article/10.1103/PhysRevMaterials.3.023804/figures/1/medium},
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}

source/papers/deepmd-kit/index.md

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Wu_PhysRevB_2021_v104_p174107,
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Zeng_EnergyFuels_2021_v35_p762,
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Zeng_JChemTheoryComput_2021_v17_p6993,
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Galib_Science_2021_v371_p921
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Galib_Science_2021_v371_p921,
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Lu_ComputerPhysicsCommunications_2021_v259_p107624
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{% endpublications %}
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## 2020
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Tuo_JChemPhys_2020_v152_p114105,
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Wang_SoftMatter_2020_v16_p8330,
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Zeng_NatCommun_2020_v11_p5713,
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Zhang_PhysRevB_2020_v102_p041121
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Zhang_PhysRevB_2020_v102_p041121,
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Zhang_ComputerPhysicsCommunications_2020_v253_p107206
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{% endpublications %}
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## 2019
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{% publications %}
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Zhang_PhysRevMaterials_2019_v3_p023804
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{% endpublications}
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## 2018
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{% publications %}

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