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| 1 | A comparative study of the specific surface area and pore structure of different shales and their kerogens显示文摘The pore structures and controlling factors of several different Paleozoic shales from Southern China and their kerogens were studied using nitrogen adsorption and scanning electron microscopy methods. The results indicate that: 1) The specific surface area is 2.22–3.52 m2/g and has no correlation with the TOC content of the Permian Dalong Formation shales, nanopores are extremely undeveloped in the Dalong Formation kerogens, which have specific surface areas of 20.35–27.49 m2/g; 2) the specific surface area of the Silurian Longmaxi Formation shales is in the range of 17.83–29.49 m2/g and is positively correlated with TOC content, the kerogens from the Longmaxi Formation have well-developed nanopores, with round or elliptical shapes, and the specific surface areas of these kerogens are as high as 279.84–300.3 m2/g; 3) for the Niutitang Formation shales, the specific surface area is 20.12–29.49 m2/grock and increases significantly with increasing TOC and smectite content. The Niutitang Formation kerogens develop a certain amount of nanopores with a specific surface area of 161.2 m2/g. Oil shale was also examined for comparison, and was found to have a specific surface area of 19.99 m2/g. Nanopores are rare in the Youganwo Formation kerogen, which has a specific surface area of only 5.54 m2/g, suggesting that the specific surface area of oil shale is due mainly to the presence of smectite and other clay minerals. The specific surface area and the number of pores present in shales are closely related to TOC, kerogen type and maturity, smectite content, and other factors. Low-maturity kerogen has very few nanopores and therefore has a very low specific surface area, whereas nanopores are abundant in mature to over- mature kerogen, leading to high specific surface areas. The Longmaxi Formation kerogen has more developed nanopores and a higher specific surface area than the Niutitang Formation kerogen, which may be due to differences in the kerogen type and maceral components. A high content of smectite may also contribute to shale surface area. The pore volume and specific surface area of low-maturity kerogens are mainly attributable to pores with diameters above 10 nm. By contrast, the pore volume of mature kerogens consists predominantly of pores with diameters above 10 nm with some contribution from about 4 nm diameter pores, while the specific surface area is due mainly to pores with diameters of less than 4 nm. Through a comparative study of the specific surface area and pore structure characteristics of different shales and their kerogens, we conclude that the Longmaxi Formation shales and Niutitang Formation shales have greater sorption capacities than the Dalong Formation shales. | CAO TaoTao SONG ZhiGuang WANG SiBo XIA Jia | 2015 | Science China Earth Sciences2015，58，4： | 25 |
| 2 | Effects of water salinity and N application rate on water- and N-use efficiency of cotton under drip irrigation显示文摘In arid and semi-arid regions, freshwater scarcity and high water salinity are serious and chronic problems for crop production and sustainable agriculture development. We conducted a field experiment to evaluate the effect of irrigation water salinity and nitrogen(N) application rate on soil salinity and cotton yield under drip irrigation during the 2011 and 2012 growing seasons. The experimental design was a 3×4 factorial with three irrigation water salinity levels(0.35, 4.61 and 8.04 dS/m) and four N application rates(0, 240, 360 and 480 kg N/hm2). Results showed that soil water content increased as the salinity of the irrigation water increased, but decreased as the N application rate increased. Soil salinity increased as the salinity of the irrigation water increased. Specifically, soil salinity measured in 1:5 soil:water extracts was 218% higher in the 4.61 dS/m treatment and 347% higher in the 8.04 dS/m treatment than in the 0.35 dS/m treatment. Nitrogen fertilizer application had relatively little effect on soil salinity, increasing salinity by only 3%–9% compared with the unfertilized treatment. Cotton biomass, cotton yield and evapotranspiration(ET) decreased significantly in both years as the salinity of irrigation water increased, and increased as the N application rate increased regardless of irrigation water salinity; however, the positive effects of N application were reduced when the salinity of the irrigation water was 8.04 dS/m. Water use efficiency(WUE) was significantly higher by 11% in the 0.35 dS/m treatment than in the 8.04 dS/m treatment. There was no significant difference in WUE between the 0.35 dS/m treatment and the 4.61 dS/m treatment. The WUE was also significantly affected by the N application rate. The WUE was highest in the 480 kg N/hm2 treatment, being 31% higher than that in the 0 kg N/hm2 treatment and 12% higher than that in the 240 kg N/hm2 treatment. There was no significant difference between the 360 and 480 kg N/hm2 treatments. The N use efficiency(NUE) was significantly lower in the 8.04 dS/m treatment than in either the 4.61 dS/m or the 0.35 dS/m treatment. There was no significant difference in NUE between the latter two treatments. These results suggest that irrigation water with salinity <4.61 dS/m does not have an obvious negative effect on cotton production, WUE or NUE under the experimental conditions. Application of N fertilizer(0–360 kg N/hm2) could alleviate salt damage, promote cotton growth, and increase both cotton yield and water use efficiency. | Wei MIN ZhenAn HOU LiJuan MA Wen ZHANG SiBo RU Jun YE | 2014 | Journal of Arid Land2014，6，4： | 12 |
| 3 | A Multivariable Approach for Estimating Soil Moisture from Microwave Radiation Imager(MWRI)显示文摘Accurate measurements of soil moisture are beneficial to our understanding of hydrological processes in the earth system. A multivariable approach using the random forest(RF) machine learning technique is proposed to estimate the soil moisture from Microwave Radiation Imager(MWRI) onboard Fengyun-3 C satellite. In this study, Soil Moisture Operational Products System(SMOPS) products disseminated from NOAA are used as a truth to train the algorithm with the input of MWRI brightness temperatures(TBs) at 10.65, 18.7, 23.8, 36.5, and 89.0 GHz, TB polarization ratios(PRs) at 10.65, 18.7, and 23.8 GHz, height in digital elevation model(DEM), and soil porosity. The retrieved soil moisture is also validated against the independent SMOPS data, and the correlation coefficient is about0.8 and mean bias is 0.002 m^3 m^-3 over the period from 1 August 2017 to 31 May 2019. Our retrieval of soil moisture also has a higher correlation with ECMWF ERA5 soil moisture data than the MWRI operational products. In the western part of China, the spatial distribution of MWRI soil moisture is much improved, compared to the MWRI operational products. | Sibo ZHANG Fuzhong WENG Wei YAO | 2020 | Journal of Meteorological Research2020，34，4： | 3 |
| 4 | FeCo alloy@N-doped graphitized carbon as an efficient cocatalyst for enhanced photocatalytic H2 evolution by inducing accelerated charge transfer显示文摘Cocatalysts play important roles in improving the activity and stability of most photocatalysts.It is of great significance to develop economical,efficient and stable cocatalysts.Herein,using Na2CoFe(CN)6 complex as precursor,a novel noble-metal-free FeCo@NGC cocatalyst(nano-FeCo alloy@N-doped graphitized carbon) is fabricated by a simple pyrolysis method.Coupling with g-C3 N4, the optimal FeCo@NGC/g-C3N4 receives a boosted visible light driven photocatalytic H2 evolution rate of 42.2 μmol h-1, which is even higher than that of 1.0 wt% Pt modified g-C3N4 photocatalyst.Based on the results of density functional theory(DFT) calculations and practical experiment measurements,such outstanding photocatalytic performance of FeCo@NGC/g-C3N4 is mainly attributed to two aspects.One is the accelerated charge transfer behavior,induced by a photogene rated electrons secondary transfer performance on the surface of FeCo alloy nanoparticles.The other is related to the adjustment of H adsorption energy(approaching the standard hydrogen electrode potential) by the presence of external NGC thin layer.Both factors play key roles in the H2 evolution reaction.Such outstanding performance highlights an enormous potential of developing noble-metal-free bimetallic nano-alloy as inexpensive and efficient cocatalysts for solar applications. | Sibo Chen Yun Hau Ng Jihai Liao Qiongzhi Gao Siyuan Yang Feng Peng Xinhua Zhong Yueping Fang Shengsen Zhang | 2021 | Journal of Energy Chemistry2021，30，1： | 3 |
| 5 | Source analysis of spaceborne microwave radiometer interference over land显示文摘热排出物从活跃传感器与信号混合了的卫星微波被叫作 radiofrequency 干扰(射频干扰) 。把从 6 月 1 日观察系统(AMSR-E ) 观察到 16 的辐射计地球基于先进微波扫描, 2011,在欧洲上的射频干扰被识别并且分析了在这份报纸使用修改主要部件分析算法。在英格兰和意大利的 X 乐队 AMSR-E 大小被稳定的、坚持的、活跃微波传输器主要在表面上影响,当另外的欧洲国家的 RFI 来源是卫星 downlink 表明到卫星转菠的微波辐射计的大小的反映的地球同步的电视的干扰时。地球同步的电视和通讯卫星劝诱的 RFI 的地点和紧张在观察时期以内随着时间变化了。在登上轨道的部分的卫星转菠的微波辐射计的观察通常被介入与在欧洲土地上,当没有射频干扰在下通行证被检测时。从 downlink 放射的思考的射频干扰地点和紧张高度依赖于在地球同步的卫星并且测量之间的相对几何学被动传感器。仅仅方位角其扫描相对地球同步的卫星接近方位角的一台卫星转菠的仪器的看法的这些地是可能的被射频干扰影响。 | Li GUAN Sibo ZHANG | 2016 | Frontiers of Earth Science2016，10，1： | 2 |
| 6 | Innovation Requirements and Progress of Dialysis Water Treatment System显示文摘With the development of medicine,people are becoming more and more aware of the quality of medical water supply,such as dial ysis water,dental water,preparation water,operating room water,supply room water.Therefore,People are constantly improving the water treatment system and its standardized,and the demand for dialysis water is also becoming more and more strict.Hemodialysis is an effective means of maintaining the life of renal failure patients,120~180L water will be used for a conventional dialysis treatment,and high flux dialysis will consume more. | Jun Ke Lifong Yan Taksui Wong Bo Hu Shuang Cui Sibo Huang Aiyun Cha Jie Huang Hongwei Hu Dawen Yun Shaofeng Huang Jie Shu Mingming Ma Lianghong Yin Xiangnan Dong Chen Yun Zuhui Chen Fanna Liu | 2017 | 临床医学工程2017，24，S1： | 2 |
| 7 | Compact asymmetric sound absorber at the exceptional point显示文摘We present an asymmetric absorber at an exceptional point(EP) with a compact configuration and deep-subwavelength thickness.Unlike conventional side-branched sound absorbers in dual-port systems, the proposed asymmetric absorber exhibits a compact shape that is coaxial with the waveguide. By tuning the loss and geometric parameters of the non-Hermitian system to reach an EP, we observe extreme asymmetric absorption. This phenomenon is theoretically and experimentally validated by observing a quasi-perfect absorption and a near-total reflection for opposite incidences at the ultra-thin(1/28 th of the operating wavelength)neck-embedded tube employed in this study. Furthermore, we demonstrate an EP-induced tunable asymmetric absorption. Our study proposes novel approaches to manipulate the EP-induced wave phenomena, paving the way for the development of novel acoustic absorbers, sensors, isolators, and directional devices. | DongTing Li SiBo Huang Yi Cheng Yong Li | 2021 | Science China(Physics,Mechanics & Astronomy)2021，64，4： | 2 |
| 8 | Identifying AMSR-E radio-frequency interference over winter land显示文摘从活跃传感器与信号混合的卫星微波排放被叫作无线电频率干扰(射频干扰) 。射频干扰极大地从卫星转菠的微波辐射线测定影响数据和检索产品的质量。一个精确射频干扰察觉愿望不仅在土地上提高地球物理的检索而且为卫星遥感技术提供微波频率乐队的非常需要的保护的证据。在冬季土地上从卫星转菠的微波辐射计数据检测射频干扰是困难的,因为射频干扰信号通常在中间高度的纬度与雪被混合。一个修改主要部件分析(PCA ) 方法为检测低频率射频干扰表明的微波在这份报纸被建议。仅仅三个原来的变量,一个射频干扰索引(对射频干扰信号敏感) 并且二散布索引(对散布的雪敏感) ,在这个修改方法为主要部件分析在向量被包括而不是在正常使用的九或七个射频干扰索引原版变量 PCA 算法。有到原来的射频干扰索引的更高的关联和贡献的主要部件是射频干扰相关的主要部件。当真射频干扰的一个可靠确认数据集合不在时,在识别射频干扰分发的一致性与另外的独立方法相比从这个方法获得了,例如光谱差别方法,规范的 PCA 方法,和双 PCA 方法,在土地上把信心给 RFI 信号鉴定。简单、可靠的修改 PCA 方法能成功地不仅在夏天而且在冬季 AMSR-E 数据检测射频干扰。 | Sibo ZHANG, Li GUAN | 2015 | Frontiers of Earth Science2015，9，3： | 2 |
| 9 | Fault Diagnosis for Service Composition by Spiking Neural P Systems with Colored Spikes显示文摘A variety of web services have emerged with the rapid development of the Internet. These services are often of a single function. The value-added services can be achieved by combing with multiple services. The processing speed and stability of existing methods in service composition were not very well and seldom consider the fault diagnosis and handling methods for the service, which results in a greater probability of the service composition failure at run time. We use spiking neural P systems with colored spikes to model the fault of available service, component, and connector in the service composition. The proposed model can be used to locate a fault and handle it correctly when the service combination fails, the advantage of efficiency and stability of proposed method has been proved by comparing with the method of Petri net. | PANG Shanchen WANG Min QIAO Sibo WANG Xun CHEN Hongqi | 2019 | Chinese Journal of Electronics2019，28，5： | 2 |
| 10 | Leakage current characteristics and ageing assessment technology of roof arrester under ultra harmonics overvoltage显示文摘The large leakage current of the roof arrester caused by the high‐frequency resonant overvoltage on the high‐speed train occurs intermittently,which will cause the arrester to overheat locally.In this work,the overheating issue of the arrester under Ultra Harmonics Overvoltage is studied.Then,the relationship between the active power and the voltage(including amplitude and frequency)of the arrester is investigated,and the impact mechanism of the harmonic voltage on the overheating fault of the arrester is analysed based on experiments in this work.It is found that the total leakage current of the arrester is proportional to the amplitude and frequency of the applied voltage.The internal resistance of the arrester is independent of the amplitude of the voltage,but it will decrease with the increase of the frequency.The main reason that leads to thermal breakdown of the arrester valve under high‐frequency harmonic voltage is the heating power elevation of the arrester valve.The research study can provide theoretical basis and data support for the design,type selection and monitoring of the high‐speed train roof arrester. | Jixing Sun Fan Ding Yunlong Lv Jiayi Ren Sibo Song Tiance Li Qingyun Zhi Changwang Guo | 2022 | High Voltage2022，7，2： | 1 |
| 11 | Truncated glycoprotein E of varicella-zoster virus is an ideal immunogen for Escherichia coli-based vaccine design显示文摘Varicella-zoster virus(VZV)is a highly infectious agent responsible for both varicella and herpes zoster disease.Despite high efficacy,there remain safety and accessibility concerns with the licensed vaccines.Here,we sought to produce a VZV g E immunogen using an E.coli expression system.We found that the soluble expression and yield of g E protein could be enhanced via C-terminal truncations to the protein,thereby facilitating a robust and scalable purification process for the purpose of vaccine manufacturing.The lead truncated g E(aa 31–358),hereafter referred to as tg E,was a homogenous monomer in solution and showed excellent antigenicity.Finally,we assessed and compared the immunogenicity of tg E with commercial v Oka LAV and Shingrix vaccine.We found that aluminum-adjuvanted tg E was immunogenic as compared with v Oka LAV.When adjuvanted with AS01B,a two-dose immunization of tg E showed comparable or better potency in antibody responses and cell-mediated immunity with those of the Shingrix vaccine at the same dosage,especially in terms of the proportion of IFN-γ-expressing CD4^(+)T cells.In conclusion,this method of E.coli-mediate tg E expression offers a cost-effective and scalable strategy to generate an ideal VZV g E immunogen for the development of both varicella and zoster vaccines. | Tingting Chen Jie Sun Sibo Zhang Tingting Li Liqin Liu Wenhui Xue Lizhi Zhou Siting Liang Zhili Yu Qingbing Zheng Hai Yu Tong Cheng Jun Zhang Ying Gu Shaowei Li Ningshao Xia | 2023 | Science China(Life Sciences)2023，66，4： | 1 |
| 12 | The methane sorption capacity of Paleozoic shales from the Sichuan Basin, China显示文摘 | Wang Sibo Song Zhiguang Cao Taotao Song Xu | 2013 | Mar Pet Geol2013，44，： | 1 |
| 13 | Online Video Popularity Regression Prediction Model with Multichannel Dynamic Scheduling Based on User Behavior显示文摘Popularity prediction of online video is widely used in many different scenarios.It can not only help video service providers to schedule video web sites,but also bring considerable profits on investment for both providers and advertisers if popularity of online video is predicted accurately.However,online video popularity prediction still cannot have a satisfactory result,due to the complexity of many crucial factors especially of video distribution network.In this article,we extract seven factors from huge amounts of data about user behavior,establishing a new multiple linear regression model to initially predict online video popularity.After that,a multichannel video popularity dynamic scheduling model is proposed to schedule videos on which channel and what time to be broadcast,according to its popularity predicted by multiple linear regression model,ensuring that maximum the sum value of online video popularity of each channel.Experimental results on dataset obtained from Sohu Video,a video service provider in China,and real-world video flow in Sohu Video demonstrate that the proposed model is robust and has promising performance in predicting online video popularity,which is helpful for video service providers to schedule videos on web sites effectively in the future. | QIAO Sibo PANG Shanchen WANG Min ZHAI Xue DAI Feng | 2021 | Chinese Journal of Electronics2021，30，5： | 1 |
| 14 | Dissolved organic carbon concentration and its seasonal variation in the Huguangyan Maar Lake of Southern China显示文摘The dissolved organic carbon(DOC)in the surface water of Huguangyan Maar Lake was continuously monitored based on once per week sampling frequency of 4 locations from June 2018 to May 2019.The DOC concentrations and its seasonal variation were discussed by correlating with the rainfall,water temperature,and p H of lake water.The results showed that the weekly DOC varied from 8.15 to 32.65 mg/L with an annual average concentration of 17.96 mg/L.There was a significant difference in the average DOC concentrations between the rainy and dry seasons as the monthly average DOC concentration was 21.72 mg/L for the wet season compared to the dry season concentration of 14.21 mg/L.The rainfall shows a significant effect on the DOC concentration of lake water,as DOC concentration was much high during the wet season.There were no significant spatial variations in the average monthly concentration among the four sampling locations except occasional variation during the wet season.The reason for the wet season DOC differences among four sampling locations is likely due to the uneven runoff and underground water inputs and the relatively slow circulation of lake water.Finally,the seasonal fluctuation of DOC concentration in this closed lake water suggests that dissolved soil organic matter inputs through the rainfall related to surface runoff and subsurface infiltration from the surrounding watershed land is important to the primary production and organic matter deposition in the lake sediments. | Grace A.Abarike Zhiguang Song Yongqian Han Sibo Wang Wen Bin Liu Yaoqian | 2021 | Acta Geochimica2021，40，5： | 1 |
| 15 | Characterizing the pore structure in the Silurian and Permian shales of the Sichuan Basin, China 显示文摘 | Cao Taotao Song Zhiguang Wang Sibo | 2015 | Marine and Petroleum Geology2015，61，： | 1 |
| 16 | New dematiaceous hyphomyeetes from Kenyan rare plants显示文摘 | Siboe G M Kirk P M Cannon P F | 1999 | Myeotaxon1999，73，： | 1 |
| 17 | Rapid source inversions of the 2023 SE Türkiye earthquakes with teleseismic and strong-motion data显示文摘We conducted rapid inversions of rupture process for the 2023 earthquake doublet occurred in SE Türkiye,the first with a magnitude of M_(W)7.8 and the second with a magnitude of M_(W)7.6,using teleseismic and strong-motion data.The teleseismic rupture models of the both events were obtained approximately 88 and 55 minutes after their occurrences,respectively.The rupture models indicated that the first event was an asymmetric bilateral event with ruptures mainly propagating to the northeast,while the second one was a unilateral event with ruptures propagating to the west.This information could be useful in locating the meizoseismal areas.Compared with teleseismic models,the strong-motion models showed relatively higher resolution.A noticeable difference was found for the M_(W)7.6 earthquake,for which the strong-motion models shows a bilateral event,rather than a unilateral event,but the dominant rupture direction is still westward.Nevertheless,all strong-motion models are consistent with the teleseismic models in terms of magnitudes,durations,and dominant rupture directions.This suggests that both teleseismic and strong-motion data can be used for fast determination of major source characteristics.In contrast,the strong-motion data would be preferable in future emergency responses since they are recorded earlier and have a better resolution ability on the source ruptures. | Chenyu Xu Yong Zhang Sibo Hua Xu Zhang Lisheng Xu Yuntai Chen Tuncay Taymaz | 2023 | Earthquake Science2023，36，4： | 1 |
| 18 | Broadband impedance modulation via non-local acoustic metamaterials显示文摘Causality of linear time-invariant systems inherently defines the wave-matter interaction process in wave physics.This principle imposes strict constraints on the interfacial response of materials on various physical platforms.A typical consequence is that a delicate balance has to be struck between the conflicting bandwidth and geometric thickness when constructing a medium with desired impedance,which makes it challenging to realize broadband impedance modulation with compact structures.In pursuit of improvement,the over-damped recipe and the reduced excessive response recipe are creatively presented in this work.As a proof-of-concept demonstration,we construct a metamaterial with intensive mode density that supports strong non-locality over a frequency band from 320 Hz to 6400 Hz.Under the guidelines of the over-damped recipe and the reduced excessive response recipe,the metamaterial realizes impedance matching to air and exhibits broadband near-perfect absorption without evident impedance oscillation and absorption dips in the working frequency band.We further present a dual-functional design capable of frequency-selective absorption and reflection by concentrating the resonance modes in three frequency bands.Our research reveals the significance of over-damped recipe and the strong non-local effect in broadband impedance modulation,which may open up avenues for constructing efficient artificial impedance boundaries for energy absorption and other wave manipulation. | Zhiling Zhou Sibo Huang Dongting Li Jie Zhu Yong Li | 2022 | National Science Review2022，9，8： | 1 |
| 19 | Machine Learning With Data Assimilation and Uncertainty Quantification for Dynamical Systems:A Review显示文摘Data assimilation(DA)and uncertainty quantification(UQ)are extensively used in analysing and reducing error propagation in high-dimensional spatial-temporal dynamics.Typical applications span from computational fluid dynamics(CFD)to geoscience and climate systems.Recently,much effort has been given in combining DA,UQ and machine learning(ML)techniques.These research efforts seek to address some critical challenges in high-dimensional dynamical systems,including but not limited to dynamical system identification,reduced order surrogate modelling,error covariance specification and model error correction.A large number of developed techniques and methodologies exhibit a broad applicability across numerous domains,resulting in the necessity for a comprehensive guide.This paper provides the first overview of state-of-the-art researches in this interdisciplinary field,covering a wide range of applications.This review is aimed at ML scientists who attempt to apply DA and UQ techniques to improve the accuracy and the interpretability of their models,but also at DA and UQ experts who intend to integrate cutting-edge ML approaches to their systems.Therefore,this article has a special focus on how ML methods can overcome the existing limits of DA and UQ,and vice versa.Some exciting perspectives of this rapidly developing research field are also discussed.Index Terms-Data assimilation(DA),deep learning,machine learning(ML),reduced-order-modelling,uncertainty quantification(UQ). | Sibo Cheng César Quilodrán-Casas Said Ouala Alban Farchi Che Liu Pierre Tandeo Ronan Fablet Didier Lucor Bertrand Iooss Julien Brajard Dunhui Xiao Tijana Janjic Weiping Ding Yike Guo Alberto Carrassi Marc Bocquet Rossella Arcucci | 2023 | IEEE/CAA Journal of Automatica Sinica2023，10，6： | 1 |
| 20 | Heterogeneous relational message passing networks for molecular dynamics simulations显示文摘With many frameworks based on message passing neural networks proposed to predict molecular and bulk properties,machine learning methods have tremendously shifted the paradigms of computational sciences underpinning physics,material science,chemistry,and biology.While existing machine learning models have yielded superior performances in many occasions,most of them model and process molecular systems in terms of homogeneous graph,which severely limits the expressive power for representing diverse interactions.In practice,graph data with multiple node and edge types is ubiquitous and more appropriate for molecular systems.Thus,we propose the heterogeneous relational message passing network(HermNet),an end-to-end heterogeneous graph neural networks,to efficiently express multiple interactions in a single model with ab initio accuracy.HermNet performs impressively against many top-performing models on both molecular and extended systems.Specifically,HermNet outperforms other tested models in nearly 75%,83%and 69%of tasks on revised Molecular Dynamics 17(rMD17),Quantum Machines 9(QM9)and extended systems datasets,respectively.In addition,molecular dynamics simulations and material property calculations are performed with HermNet to demonstrate its performance.Finally,we elucidate how the design of HermNet is compatible with quantum mechanics from the perspective of the density functional theory.Besides,HermNet is a universal framework,whose sub-networks could be replaced by other advanced models. | Zun Wang Chong Wang Sibo Zhao Yong Xu Shaogang Hao Chang Yu Hsieh Bing-Lin Gu Wenhui Duan | 2022 | npj Computational Materials2022，，1： | 1 |
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