diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 458a5f3e5b..411f5cc76d 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -75,6 +75,25 @@ repos: hooks: - id: cmake-format #- id: cmake-lint + - repo: https://github.com/njzjz/mirrors-bibtex-tidy + rev: v1.11.0 + hooks: + - id: bibtex-tidy + args: + - --curly + - --numeric + - --align=13 + - --blank-lines + # disable sort: the order of keys and fields has explict meanings + #- --sort=key + - --duplicates=key,doi,citation,abstract + - --merge=combine + #- --sort-fields + #- --strip-comments + - --trailing-commas + - --encode-urls + - --remove-empty-fields + - --wrap=80 # license header - repo: https://github.com/Lucas-C/pre-commit-hooks rev: v1.5.5 diff --git a/CITATIONS.bib b/CITATIONS.bib index 425c00ac42..a38c22deab 100644 --- a/CITATIONS.bib +++ b/CITATIONS.bib @@ -1,291 +1,361 @@ -The proposed feature of each article is described in the "annote" field. -Please cite a article if any feature is used - -@article{Wang_ComputPhysCommun_2018_v228_p178, - annote = {general purpose}, - author = {Wang, Han and Zhang, Linfeng and Han, Jiequn and E, Weinan}, - doi = {10.1016/j.cpc.2018.03.016}, - year = 2018, - month = {jul}, - publisher = {Elsevier {BV}}, - volume = 228, - journal = {Comput. Phys. Comm.}, - title = {{DeePMD-kit: A deep learning package for many-body potential - energy representation and molecular dynamics}}, - pages = {178--184}, -} - -@Article{Zeng_JChemPhys_2023_v159_p054801, - annote = {general purpose}, - title = {{DeePMD-kit v2: A software package for deep potential models}}, - author = {Jinzhe Zeng and Duo Zhang and Denghui Lu and Pinghui Mo and Zeyu Li - and Yixiao Chen and Mari{\'a}n Rynik and Li'ang Huang and Ziyao Li and - Shaochen Shi and Yingze Wang and Haotian Ye and Ping Tuo and Jiabin - Yang and Ye Ding and Yifan Li and Davide Tisi and Qiyu Zeng and Han - Bao and Yu Xia and Jiameng Huang and Koki Muraoka and Yibo Wang and - Junhan Chang and Fengbo Yuan and Sigbj{\o}rn L{\o}land Bore and Chun - Cai and Yinnian Lin and Bo Wang and Jiayan Xu and Jia-Xin Zhu and - Chenxing Luo and Yuzhi Zhang and Rhys E A Goodall and Wenshuo Liang - and Anurag Kumar Singh and Sikai Yao and Jingchao Zhang and Renata - Wentzcovitch and Jiequn Han and Jie Liu and Weile Jia and Darrin M - York and Weinan E and Roberto Car and Linfeng Zhang and Han Wang}, - journal = {J. Chem. Phys.}, - volume = 159, - issue = 5, - year = 2023, - pages = 054801, - doi = {10.1063/5.0155600}, -} - - -@article{Lu_CompPhysCommun_2021_v259_p107624, - annote = {GPU support}, - title={{86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million - atoms with ab initio accuracy}}, - author={Lu, Denghui and Wang, Han and Chen, Mohan and Lin, Lin and Car, Roberto - and E, Weinan and Jia, Weile and Zhang, Linfeng}, - journal={Comput. Phys. Comm.}, - volume={259}, - pages={107624}, - year={2021}, - publisher={Elsevier}, - doi={10.1016/j.cpc.2020.107624}, -} - -@article{Zhang_PhysRevLett_2018_v120_p143001, - annote = {local frame (loc_frame)}, - author = {Linfeng Zhang and Jiequn Han and Han Wang and - Roberto Car and Weinan E}, - journal = {Phys. Rev. Lett.}, - number = {14}, - pages = {143001}, - publisher = {APS}, - title = {{Deep potential molecular dynamics: a scalable model - with the accuracy of quantum mechanics}}, - volume = {120}, - year = {2018}, - doi = {10.1103/PhysRevLett.120.143001} -} - -@incollection{Zhang_BookChap_NIPS_2018_v31_p4436, - annote = {DeepPot-SE (se_e2_a, se_e2_r, se_e3, se_atten)}, - title = {{End-to-end Symmetry Preserving Inter-atomic Potential Energy Model - for Finite and Extended Systems}}, - author = {Zhang, Linfeng and Han, Jiequn and Wang, Han and Saidi, Wissam and - Car, Roberto and E, Weinan}, - booktitle = {Advances in Neural Information Processing Systems 31}, - editor = {S. Bengio and H. Wallach and H. Larochelle and K. Grauman and N. - Cesa-Bianchi and R. Garnett}, - pages = {4436--4446}, - year = {2018}, - publisher = {Curran Associates, Inc.}, - url = {https://dl.acm.org/doi/10.5555/3327345.3327356} -} - -@Article{Wang_NuclFusion_2022_v62_p126013, - annote = {three-body embedding DeepPot-SE (se_e3)}, - author = {Xiaoyang Wang and Yinan Wang and Linfeng Zhang and Fuzhi Dai and Han - Wang}, - title = {{A tungsten deep neural-network potential for simulating mechanical - property degradation under fusion service environment}}, - journal = {Nucl. Fusion}, - year = 2022, - volume = 62, - issue = 12, - pages = 126013, - doi = {10.1088/1741-4326/ac888b}, -} - -@misc{Zhang_2022_DPA1, - annote = {attention-based descriptor}, - author = {Zhang, Duo and Bi, Hangrui and Dai, Fu-Zhi and Jiang, Wanrun and Zhang, Linfeng and Wang, Han}, - title = {{DPA-1: Pretraining of Attention-based Deep Potential Model for Molecular Simulation}}, - publisher = {arXiv}, - year = {2022}, - doi = {10.48550/arXiv.2208.08236}, -} - -@misc{Zhang_2023_DPA2, - annote = {DPA-2}, - author = {Duo Zhang and Xinzijian Liu and Xiangyu Zhang and Chengqian Zhang and - Chun Cai and Hangrui Bi and Yiming Du and Xuejian Qin and Jiameng Huang - and Bowen Li and Yifan Shan and Jinzhe Zeng and Yuzhi Zhang and Siyuan - Liu and Yifan Li and Junhan Chang and Xinyan Wang and Shuo Zhou and - Jianchuan Liu and Xiaoshan Luo and Zhenyu Wang and Wanrun Jiang and Jing - Wu and Yudi Yang and Jiyuan Yang and Manyi Yang and Fu-Qiang Gong and - Linshuang Zhang and Mengchao Shi and Fu-Zhi Dai and Darrin M. York and - Shi Liu and Tong Zhu and Zhicheng Zhong and Jian Lv and Jun Cheng and - Weile Jia and Mohan Chen and Guolin Ke and Weinan E and Linfeng Zhang - and Han Wang}, - title = {{DPA-2: Towards a universal large atomic model for molecular and material - simulation}}, - publisher = {arXiv}, - year = {2023}, - doi = {10.48550/arXiv.2312.15492}, -} - -@article{Zhang_PhysPlasmas_2020_v27_p122704, - annote = {frame-specific parameters (e.g. electronic temperature)}, - author = {Zhang, Yuzhi and Gao, Chang and Liu, Qianrui and Zhang, Linfeng and Wang, Han and Chen, Mohan}, - title = {{Warm dense matter simulation via electron temperature dependent deep potential molecular dynamics}}, - journal = {Phys. Plasmas}, - volume = {27}, - number = {12}, - pages = {122704}, - year = {2020}, - month = {12}, - doi = {10.1063/5.0023265}, -} - -@misc{Zeng_2023_TTMDPMD, - annote = {atom-specific parameter (e.g. electron temperature) }, - author = {Zeng, Qiyu and Chen, Bo and Zhang, Shen and Kang, Dongdong and Wang, Han and Yu, Xiaoxiang and Dai, Jiayu}, - title = {{Full-scale ab initio simulations of laser-driven atomistic dynamics}}, - publisher = {arXiv}, - year = {2023}, - doi = {10.48550/arXiv.2308.13863}, -} - -@article{Zhang_PhysRevB_2020_v102_p41121, - annote = {fit dipole}, - title={{Deep neural network for the dielectric response of insulators}}, - author={Zhang, Linfeng and Chen, Mohan and Wu, Xifan and Wang, Han and E, Weinan and Car, Roberto}, - journal={Phys. Rev. B}, - volume={102}, - number={4}, - pages={041121}, - year={2020}, - publisher={APS}, - doi={10.1103/PhysRevB.102.041121} -} - -@article{Sommers_PhysChemChemPhys_2020_v22_p10592, - annote = {fit polarizability}, - title={{Raman spectrum and polarizability of liquid water from deep neural networks}}, - author={Sommers, Grace M and Andrade, Marcos F Calegari and Zhang, Linfeng and Wang, Han and Car, Roberto}, - journal={Phys. Chem. Chem. Phys.}, - volume={22}, - number={19}, - pages={10592--10602}, - year={2020}, - publisher={Royal Society of Chemistry}, - doi={10.1039/D0CP01893G} -} - -@Article{Zeng_JChemTheoryComput_2023_v19_p1261, - annote = {fit relative energies}, - author = {Jinzhe Zeng and Yujun Tao and Timothy J Giese and Darrin M York}, - title = {{QD{\pi}: A Quantum Deep Potential Interaction Model for - Drug Discovery}}, - journal = {J. Chem. Theory Comput.}, - year = 2023, - volume = 19, - issue = 4, - pages = {1261--1275}, - doi = {10.1021/acs.jctc.2c01172}, -} - -@Article{Zeng_PhysRevB_2022_v105_p174109, - annote = {fit density of states}, - author = {Qiyu Zeng and Bo Chen and Xiaoxiang Yu and Shen Zhang and Dongdong - Kang and Han Wang and Jiayu Dai}, - title = {{Towards large-scale and spatiotemporally resolved diagnosis of - electronic density of states by deep learning}}, - journal = {Phys. Rev. B}, - year = 2022, - volume = 105, - issue = 17, - pages = 174109, - doi = {10.1103/PhysRevB.105.174109}, -} - -@Article{Zhang_JChemPhys_2022_v156_p124107, - annote = {DPLR, se_e2_r, hybrid descriptor}, - author = {Linfeng Zhang and Han Wang and Maria Carolina Muniz and Athanassios Z - Panagiotopoulos and Roberto Car and Weinan E}, - title = {{A deep potential model with long-range electrostatic interactions}}, - journal = {J. Chem. Phys.}, - year = 2022, - volume = 156, - issue = 12, - pages = 124107, - doi = {10.1063/5.0083669}, -} - -@article{Zeng_JChemTheoryComput_2021_v17_p6993, - annote= {DPRc}, - title={{Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/molecular Mechanical Simulations of Chemical Reactions in Solution}}, - author={Zeng, Jinzhe and Giese, Timothy J and Ekesan, {\c{S}}{\"o}len and York, Darrin M}, - journal={J. Chem. Theory Comput.}, - year=2021, - volume=17, - issue=11, - pages={6993-7009}, - doi = {10.1021/acs.jctc.1c00201}, -} - -@article{Wang_ApplPhysLett_2019_v114_p244101, - annote = {Interpolation with a pair-wise potential}, - title={{Deep learning inter-atomic potential model for accurate irradiation damage simulations}}, - author={Wang, Hao and Guo, Xun and Zhang, Linfeng and Wang, Han and Xue, Jianming}, - journal={Appl. Phys. Lett.}, - volume={114}, - number={24}, - pages={244101}, - year={2019}, - publisher={AIP Publishing LLC}, - doi={10.1063/1.5098061}, -} - -@article{Zhang_PhysRevMater_2019_v3_p23804, - annote = {model deviation}, - title = {{Active learning of uniformly accurate interatomic potentials for materials simulation}}, - author = {Linfeng Zhang and De-Ye Lin and Han Wang and Roberto Car and Weinan E}, - journal = {Phys. Rev. Mater.}, - volume = 3, - issue = 2, - pages = 23804, - year = 2019, - publisher = {American Physical Society}, - doi = {10.1103/PhysRevMaterials.3.023804}, -} - -@article{Lu_JChemTheoryComput_2022_v18_p5555, - annote = {DP Compress}, - author = {Denghui Lu and Wanrun Jiang and Yixiao Chen and Linfeng Zhang and - Weile Jia and Han Wang and Mohan Chen}, - title = {{DP Compress: A Model Compression Scheme for Generating Efficient Deep - Potential Models}}, - journal = {J. Chem. Theory Comput.}, - year = 2022, - volume=18, - issue=9, - pages={5555--5567}, - doi = {10.1021/acs.jctc.2c00102}, -} - -@article{Mo_npjComputMater_2022_v8_p107, - annote = {NVNMD}, - author = {Pinghui Mo and Chang Li and Dan Zhao and Yujia Zhang and Mengchao Shi - and Junhua Li and Jie Liu}, - title = {{Accurate and efficient molecular dynamics based on machine learning - and non von Neumann architecture}}, - journal = {npj Comput. Mater.}, - year = 2022, - volume = 8, - issue = 1, - pages = 107, - doi = {10.1038/s41524-022-00773-z}, -} - -@article{Zeng_EnergyFuels_2021_v35_p762, - annote = {relative or atomic model deviation}, - author = {Jinzhe Zeng and Linfeng Zhang and Han Wang and Tong Zhu}, - title = {{Exploring the Chemical Space of Linear Alkane Pyrolysis via Deep Potential GENerator}}, - journal = {Energy \& Fuels}, - volume = 35, - number = 1, - pages = {762--769}, - year = 2021, - doi = {10.1021/acs.energyfuels.0c03211}, -} +The proposed feature of each article is described in the "annote" field. +Please cite a article if any feature is used +@article{Wang_ComputPhysCommun_2018_v228_p178, + annote = {general purpose}, + author = {Wang, Han and Zhang, Linfeng and Han, Jiequn and E, Weinan}, + doi = {10.1016/j.cpc.2018.03.016}, + year = 2018, + month = {jul}, + publisher = {Elsevier {BV}}, + volume = 228, + journal = {Comput. Phys. Comm.}, + title = { + {DeePMD-kit: A deep learning package for many-body potential energy + representation and molecular dynamics} + }, + pages = {178--184}, +} + +@article{Zeng_JChemPhys_2023_v159_p054801, + annote = {general purpose}, + title = {{DeePMD-kit v2: A software package for deep potential models}}, + author = { + Jinzhe Zeng and Duo Zhang and Denghui Lu and Pinghui Mo and Zeyu Li and + Yixiao Chen and Mari{\'a}n Rynik and Li'ang Huang and Ziyao Li and Shaochen + Shi and Yingze Wang and Haotian Ye and Ping Tuo and Jiabin Yang and Ye Ding + and Yifan Li and Davide Tisi and Qiyu Zeng and Han Bao and Yu Xia and + Jiameng Huang and Koki Muraoka and Yibo Wang and Junhan Chang and Fengbo + Yuan and Sigbj{\o}rn L{\o}land Bore and Chun Cai and Yinnian Lin and Bo + Wang and Jiayan Xu and Jia-Xin Zhu and Chenxing Luo and Yuzhi Zhang and + Rhys E A Goodall and Wenshuo Liang and Anurag Kumar Singh and Sikai Yao and + Jingchao Zhang and Renata Wentzcovitch and Jiequn Han and Jie Liu and Weile + Jia and Darrin M York and Weinan E and Roberto Car and Linfeng Zhang and + Han Wang + }, + journal = {J. Chem. Phys.}, + volume = 159, + issue = 5, + year = 2023, + pages = 054801, + doi = {10.1063/5.0155600}, +} + +@article{Lu_CompPhysCommun_2021_v259_p107624, + annote = {GPU support}, + title = { + {86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million + atoms with ab initio accuracy} + }, + author = { + Lu, Denghui and Wang, Han and Chen, Mohan and Lin, Lin and Car, Roberto and + E, Weinan and Jia, Weile and Zhang, Linfeng + }, + journal = {Comput. Phys. Comm.}, + volume = 259, + pages = 107624, + year = 2021, + publisher = {Elsevier}, + doi = {10.1016/j.cpc.2020.107624}, +} + +@article{Zhang_PhysRevLett_2018_v120_p143001, + annote = {local frame (loc\_frame)}, + author = {Linfeng Zhang and Jiequn Han and Han Wang and Roberto Car and Weinan E}, + journal = {Phys. Rev. Lett.}, + number = 14, + pages = 143001, + publisher = {APS}, + title = { + {Deep potential molecular dynamics: a scalable model with the accuracy of + quantum mechanics} + }, + volume = 120, + year = 2018, + doi = {10.1103/PhysRevLett.120.143001}, +} + +@incollection{Zhang_BookChap_NIPS_2018_v31_p4436, + annote = {DeepPot-SE (se\_e2\_a, se\_e2\_r, se\_e3, se\_atten)}, + title = { + {End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for + Finite and Extended Systems} + }, + author = { + Zhang, Linfeng and Han, Jiequn and Wang, Han and Saidi, Wissam and Car, + Roberto and E, Weinan + }, + booktitle = {Advances in Neural Information Processing Systems 31}, + editor = { + S. Bengio and H. Wallach and H. Larochelle and K. Grauman and N. + Cesa-Bianchi and R. Garnett + }, + pages = {4436--4446}, + year = 2018, + publisher = {Curran Associates, Inc.}, + url = {https://dl.acm.org/doi/10.5555/3327345.3327356}, +} + +@article{Wang_NuclFusion_2022_v62_p126013, + annote = {three-body embedding DeepPot-SE (se\_e3)}, + author = {Xiaoyang Wang and Yinan Wang and Linfeng Zhang and Fuzhi Dai and Han Wang}, + title = { + {A tungsten deep neural-network potential for simulating mechanical + property degradation under fusion service environment} + }, + journal = {Nucl. Fusion}, + year = 2022, + volume = 62, + issue = 12, + pages = 126013, + doi = {10.1088/1741-4326/ac888b}, +} + +@misc{Zhang_2022_DPA1, + annote = {attention-based descriptor}, + author = { + Zhang, Duo and Bi, Hangrui and Dai, Fu-Zhi and Jiang, Wanrun and Zhang, + Linfeng and Wang, Han + }, + title = { + {DPA-1: Pretraining of Attention-based Deep Potential Model for Molecular + Simulation} + }, + publisher = {arXiv}, + year = 2022, + doi = {10.48550/arXiv.2208.08236}, +} + +@misc{Zhang_2023_DPA2, + annote = {DPA-2}, + author = { + Duo Zhang and Xinzijian Liu and Xiangyu Zhang and Chengqian Zhang and Chun + Cai and Hangrui Bi and Yiming Du and Xuejian Qin and Jiameng Huang and + Bowen Li and Yifan Shan and Jinzhe Zeng and Yuzhi Zhang and Siyuan Liu and + Yifan Li and Junhan Chang and Xinyan Wang and Shuo Zhou and Jianchuan Liu + and Xiaoshan Luo and Zhenyu Wang and Wanrun Jiang and Jing Wu and Yudi Yang + and Jiyuan Yang and Manyi Yang and Fu-Qiang Gong and Linshuang Zhang and + Mengchao Shi and Fu-Zhi Dai and Darrin M. York and Shi Liu and Tong Zhu and + Zhicheng Zhong and Jian Lv and Jun Cheng and Weile Jia and Mohan Chen and + Guolin Ke and Weinan E and Linfeng Zhang and Han Wang + }, + title = { + {DPA-2: Towards a universal large atomic model for molecular and material + simulation} + }, + publisher = {arXiv}, + year = 2023, + doi = {10.48550/arXiv.2312.15492}, +} + +@article{Zhang_PhysPlasmas_2020_v27_p122704, + annote = {frame-specific parameters (e.g. electronic temperature)}, + author = { + Zhang, Yuzhi and Gao, Chang and Liu, Qianrui and Zhang, Linfeng and Wang, + Han and Chen, Mohan + }, + title = { + {Warm dense matter simulation via electron temperature dependent deep + potential molecular dynamics} + }, + journal = {Phys. Plasmas}, + volume = 27, + number = 12, + pages = 122704, + year = 2020, + month = 12, + doi = {10.1063/5.0023265}, +} + +@misc{Zeng_2023_TTMDPMD, + annote = {atom-specific parameter (e.g. electron temperature)}, + author = { + Zeng, Qiyu and Chen, Bo and Zhang, Shen and Kang, Dongdong and Wang, Han + and Yu, Xiaoxiang and Dai, Jiayu + }, + title = {{Full-scale ab initio simulations of laser-driven atomistic dynamics}}, + publisher = {arXiv}, + year = 2023, + doi = {10.48550/arXiv.2308.13863}, +} + +@article{Zhang_PhysRevB_2020_v102_p41121, + annote = {fit dipole}, + title = {{Deep neural network for the dielectric response of insulators}}, + author = { + Zhang, Linfeng and Chen, Mohan and Wu, Xifan and Wang, Han and E, Weinan + and Car, Roberto + }, + journal = {Phys. Rev. B}, + volume = 102, + number = 4, + pages = {041121}, + year = 2020, + publisher = {APS}, + doi = {10.1103/PhysRevB.102.041121}, +} + +@article{Sommers_PhysChemChemPhys_2020_v22_p10592, + annote = {fit polarizability}, + title = { + {Raman spectrum and polarizability of liquid water from deep neural + networks} + }, + author = { + Sommers, Grace M and Andrade, Marcos F Calegari and Zhang, Linfeng and + Wang, Han and Car, Roberto + }, + journal = {Phys. Chem. Chem. Phys.}, + volume = 22, + number = 19, + pages = {10592--10602}, + year = 2020, + publisher = {Royal Society of Chemistry}, + doi = {10.1039/D0CP01893G}, +} + +@article{Zeng_JChemTheoryComput_2023_v19_p1261, + annote = {fit relative energies}, + author = {Jinzhe Zeng and Yujun Tao and Timothy J Giese and Darrin M York}, + title = {{QD{\pi}: A Quantum Deep Potential Interaction Model for Drug Discovery}}, + journal = {J. Chem. Theory Comput.}, + year = 2023, + volume = 19, + issue = 4, + pages = {1261--1275}, + doi = {10.1021/acs.jctc.2c01172}, +} + +@article{Zeng_PhysRevB_2022_v105_p174109, + annote = {fit density of states}, + author = { + Qiyu Zeng and Bo Chen and Xiaoxiang Yu and Shen Zhang and Dongdong Kang and + Han Wang and Jiayu Dai + }, + title = { + {Towards large-scale and spatiotemporally resolved diagnosis of electronic + density of states by deep learning} + }, + journal = {Phys. Rev. B}, + year = 2022, + volume = 105, + issue = 17, + pages = 174109, + doi = {10.1103/PhysRevB.105.174109}, +} + +@article{Zhang_JChemPhys_2022_v156_p124107, + annote = {DPLR, se\_e2\_r, hybrid descriptor}, + author = { + Linfeng Zhang and Han Wang and Maria Carolina Muniz and Athanassios Z + Panagiotopoulos and Roberto Car and Weinan E + }, + title = {{A deep potential model with long-range electrostatic interactions}}, + journal = {J. Chem. Phys.}, + year = 2022, + volume = 156, + issue = 12, + pages = 124107, + doi = {10.1063/5.0083669}, +} + +@article{Zeng_JChemTheoryComput_2021_v17_p6993, + annote = {DPRc}, + title = { + {Development of Range-Corrected Deep Learning Potentials for Fast, Accurate + Quantum Mechanical/molecular Mechanical Simulations of Chemical Reactions + in Solution} + }, + author = { + Zeng, Jinzhe and Giese, Timothy J and Ekesan, {\c{S}}{\"o}len and York, + Darrin M + }, + journal = {J. Chem. Theory Comput.}, + year = 2021, + volume = 17, + issue = 11, + pages = {6993--7009}, + doi = {10.1021/acs.jctc.1c00201}, +} + +@article{Wang_ApplPhysLett_2019_v114_p244101, + annote = {Interpolation with a pair-wise potential}, + title = { + {Deep learning inter-atomic potential model for accurate irradiation damage + simulations} + }, + author = {Wang, Hao and Guo, Xun and Zhang, Linfeng and Wang, Han and Xue, Jianming}, + journal = {Appl. Phys. Lett.}, + volume = 114, + number = 24, + pages = 244101, + year = 2019, + publisher = {AIP Publishing LLC}, + doi = {10.1063/1.5098061}, +} + +@article{Zhang_PhysRevMater_2019_v3_p23804, + annote = {model deviation}, + title = { + {Active learning of uniformly accurate interatomic potentials for materials + simulation} + }, + author = {Linfeng Zhang and De-Ye Lin and Han Wang and Roberto Car and Weinan E}, + journal = {Phys. Rev. Mater.}, + volume = 3, + issue = 2, + pages = 23804, + year = 2019, + publisher = {American Physical Society}, + doi = {10.1103/PhysRevMaterials.3.023804}, +} + +@article{Lu_JChemTheoryComput_2022_v18_p5555, + annote = {DP Compress}, + author = { + Denghui Lu and Wanrun Jiang and Yixiao Chen and Linfeng Zhang and Weile Jia + and Han Wang and Mohan Chen + }, + title = { + {DP Compress: A Model Compression Scheme for Generating Efficient Deep + Potential Models} + }, + journal = {J. Chem. Theory Comput.}, + year = 2022, + volume = 18, + issue = 9, + pages = {5555--5567}, + doi = {10.1021/acs.jctc.2c00102}, +} + +@article{Mo_npjComputMater_2022_v8_p107, + annote = {NVNMD}, + author = { + Pinghui Mo and Chang Li and Dan Zhao and Yujia Zhang and Mengchao Shi and + Junhua Li and Jie Liu + }, + title = { + {Accurate and efficient molecular dynamics based on machine learning and + non von Neumann architecture} + }, + journal = {npj Comput. Mater.}, + year = 2022, + volume = 8, + issue = 1, + pages = 107, + doi = {10.1038/s41524-022-00773-z}, +} + +@article{Zeng_EnergyFuels_2021_v35_p762, + annote = {relative or atomic model deviation}, + author = {Jinzhe Zeng and Linfeng Zhang and Han Wang and Tong Zhu}, + title = { + {Exploring the Chemical Space of Linear Alkane Pyrolysis via Deep Potential + GENerator} + }, + journal = {Energy \& Fuels}, + volume = 35, + number = 1, + pages = {762--769}, + year = 2021, + doi = {10.1021/acs.energyfuels.0c03211}, +}