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Ab initio Quantum Simulation of Strongly Correlated Materials with Quantum Embedding [article]

Changsu Cao, Jinzhao Sun, Xiao Yuan, Han-Shi Hu, Hung Q. Pham, Dingshun Lv
2022 arXiv   pre-print
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules, ab initio simulation of solid-state materials on quantum computers is still in its early stage, mostly owing to the fact that the system size quickly becomes prohibitively large when approaching the thermodynamic limit. In this work, we introduce an
more » ... sed multi-fragment approach on top of the periodic density matrix embedding theory, resulting in a significantly smaller problem size for the current near-term quantum computer. We demonstrate the accuracy and efficiency of our method compared with the conventional methodologies and experiments on solid-state systems with complex electronic structures. These include spin polarized states of a hydrogen chain (1D-H), the equation of states of a boron nitride layer (h-BN) as well as the magnetic ordering in nickel oxide (NiO), a prototypical strongly correlated solid. Our results suggest that quantum embedding combined with a chemically intuitive fragmentation can greatly advance quantum simulation of realistic materials, thereby paving the way for solving important yet classically hard industrial problems on near-term quantum devices.
arXiv:2209.03202v1 fatcat:dofyifhrnffn3cjaqj5lq3n5zy

Retailer's Optimal Procurement Strategy under Supply Disruption and Stochastic Demand: Backup Sourcing or Simultaneous Sourcing

Feng Lin, Jinzhao Shi, Peng Wu, Xingxuan Zhuo
2020 Complexity  
Practically, supply disruption may lead production process to entirely halt (completely disrupted) or the output to differ in the order size (partially disrupted), which makes it more difficult for the retailer to satisfy stochastic market demand. Under the circumstance, the retailer is likely to procure products from two suppliers to effectively alleviate the demand-supply mismatches. Thus, under supply disruption and stochastic demand, this paper develops both backup sourcing and simultaneous
more » ... sourcing (SS) strategies to analyze the retailer's performance, where backup sourcing includes wholesale price priority (WPP) and supply reliability priority (SRP). Specifically, (1) under WPP, when the selling price is relatively lower (higher), the retailer is suggested to activate the reliable backup supplier after the realization of supply disruption (demand uncertainty). (2) Under SRP, two scenarios including minor disruption and major disruption can be identified, where the retailer's order quantity from the reliable (unreliable) supplier under minor disruption scenario is more (less) than that under major. (3) Finally, this paper systematically compares the retailer's preferences among WPP, SRP, and SS via theoretical results and numerical examples. That is, when the unreliable supplier is more likely to work normally or shortage cost (selling price) is relatively lower, the retailer prefers SPR regarding the unreliable supplier as backup sourcing due to its lower wholesale price and acceptable supply disruption. Otherwise, the retailer is inclined to WPP regarding the reliable supplier as backup sourcing for ensuring all market demand to be satisfied. In addition, unless the emergency prices of two suppliers are extremely higher, backup sourcing strategies could perform better than simultaneous sourcing strategy.
doi:10.1155/2020/9612648 fatcat:lk7izpcwobd43es3h6fbh3ysju

Evaluating the health status of Robinia pseudoacacia L. by the root exudates

Wei Tianxing, Shi Xin, Zhu Jinzhao, Zhu Qingke, Yukui Rui
2018 Bangladesh Journal of Botany  
The components of root exudates released from healthy and unhealthy black locust (Robinia pseudoacacia L.) root were determined by GC-MS. The results showed that the kinds and contents of root exudates released from Black Locust are different for healthy and unhealthy plants, so it may be evaluated whether the Black Locust plants are healthy or unhealthy by the root exudates. Healthy plants can release more kinds of exudates than unhealthy plants, especially the kinds of acids, alcohol and
more » ... . There are 46 kinds of compounds in the healthy Black Locust, but only 24 kinds in the unhealthy Black Locust. Many compounds are released from healthy plant but not from unhealthy, while many kinds of compounds are released from unhealthy plant but not from healthy one.
doi:10.3329/bjb.v44i3.38543 fatcat:tzholvwotvcifks3x3kdxu6hfy

Bioaccumulation and chemical forms of cadmium, copper and lead in aquatic plants

JinZhao Hu, AiZhen Zheng, DongLi Pei, GuoXin Shi
2010 Brazilian Archives of Biology and Technology  
The cadmium(Cd), copper(Cu) and lead(Pb) accumulation, as well as their relative content of different chemical forms in Sagittaria sagittifolia L. and Potamogeton crispus L. were determined. The results showed that both the plants had the ability to accumulate large amounts of Cd, Cu and Pb, and they absorbed metals in dose-dependent manners. The roots of S. sagittifolia appeared more sensitive to Cd and Pb than the leaves of P. crispus. The potential of Cu uptake by these two plant tissues was
more » ... similar. Under the same concentration, the uptake of Cu for both the plants was higher than Pb and Cd, while that of Pb was lowest. The Cd, Cu and Pb existed with various forms in the plants. Cd and Pb were mainly in the NaCl extractable form in S. sagittifolia and P. crispus. The HAc and ethanol extractable Cu were the main forms in the root, whereas the ethanol extractable form was the dominant chemical form in the caulis and bulb of the S. sagittifolia L.
doi:10.1590/s1516-89132010000100029 fatcat:napw6fkygbfnxggheex7whv6pe

Observed Microphysical Characteristics of Stratiform and Convective Precipitation over an Inland Arid Region of the Qinghai–Tibet Plateau

Hongwei Xie, Peichong Pan, Haiyun Shi, Ji Chen, Jinzhao Wang
2020 Water  
This study analyzed the microphysical characteristics of stratiform and convective precipitation over an inland arid region of Qinghai–Tibet Plateau in summer for the first time. The observed precipitation data were from the OTT Parsivel2 laser raindrop spectrometer and the raindrop size distribution can be described by a gamma distribution and a general exponential distribution. The results indicate that: (1) compared to the exponential distribution, the gamma distribution is the better
more » ... n with which to describe the raindrop size distribution in this region; (2) the raindrop sizes are mainly below 1 mm, and the raindrop sizes which contribute most to the rainfall intensity are below 2 mm for stratiform precipitation and convective precipitation; (3) the mean values of microphysical parameters, e.g., rainfall intensity, radar reflectivity factor, and liquid water content, are higher for convective precipitation than stratiform precipitation; and (4) the standard Z–R relationship underestimates the radar reflectivity factor in this region. Overall, the obtained results will enhance our understanding and facilitate future studies regarding the microphysical characteristics of precipitation in such regions. For example, the obtained Z–R relationship can be a reference for estimating the radar reflectivity factor in this region with higher accuracy.
doi:10.3390/w12082300 fatcat:g6oig643yze3rdimexl76vowim

The toxic effects of Cd2+ and Cr6+ on Sagittaria sagittifolia blia L

HU Jinzhao, SHI Guoxin, DING Bingzhong, CHEN Shuya, XU Bingjun, ZHAO Juan, WU Guorong
2006 Journal of Lake Sciences  
doi:10.18307/2006.0209 fatcat:r5n3emtyzzh6jdrfpowxrib5za

Pb electrodeposition from PbO in the urea/1-ethyl-3-methylimidazolium chloride at room temperature

Wencai He, Aimin Liu, Jinzhao Guan, Zhongning Shi, Bingliang Gao, Xianwei Hu, Zhaowen Wang
2017 RSC Advances  
Moreover, equilibrium potentials in CV shi toward the positive direction, as shown in Fig. 10 .  ...  When the cathodic potentials are negatively shied from À0.40 to À0.52 V, the t m values tend to decrease.  ... 
doi:10.1039/c6ra27383a fatcat:vueald2bmvbelbsizfgwhaa4sa

Monte Carlo Simulation and Collimator optimization for Tomographic Gamma Scanning

Jinzhao Zhang, Xianguo Tuo, Qibiao Wang, Yangchun Leng, Rui Shi
2017 2017 IEEE Nuclear Science Symposium and Medical Imaging Conference (NSS/MIC)  
We present the design and optimization of a Tomographic Gamma Scanning (TGS) collimator based on Monte Carlo simulations using MCNP5 computer code. In these simulations, an accurate Monte Carlo model of TGS was built and the collimator radius, collimator deep and collimator shape of the TGS are optimized. The simulation results reveal that the collimator aperture radius of 3.1 and depth of 18.6 cm are the high sensitivity when FWHM choose 26.7cm, the rotated hexagon is the optimal shape. Our
more » ... ign shows a significantly improved performance of the TGS system.
doi:10.1109/nssmic.2017.8532877 fatcat:wrvnwtcwwjeuvewweoeazvxwim

Optimal Ordering and Pricing Policies for Seasonal Products: Impacts of Demand Uncertainty and Capital Constraint

Jinzhao Shi, Richard Y. K. Fung, Ju'e Guo
2016 Discrete Dynamics in Nature and Society  
With a stochastic price-dependent market demand, this paper investigates how demand uncertainty and capital constraint affect retailer's integrated ordering and pricing policies towards seasonal products. The retailer with capital constraint is normalized to be with zero capital endowment while it can be financed by an external bank. The problems are studied under a low and high demand uncertainty scenario, respectively. Results show that when demand uncertainty level is relatively low, the
more » ... iler faced with demand uncertainty always sets a lower price than the riskless one, while its order quantity may be smaller or larger than the riskless retailer's which depends on the level of market size. When adding a capital constraint, the retailer will strictly prefer a higher price but smaller quantity policy. However, in a high demand uncertainty scenario, the impacts are more intricate. The retailer faced with demand uncertainty will always order a larger quantity than the riskless one if demand uncertainty level is high enough (above a critical value), while the capital-constrained retailer is likely to set a lower price than the well-funded one when demand uncertainty level falls within a specific interval. Therefore, it can be further concluded that the impact of capital constraint on the retailer's pricing decision can be influenced by different demand uncertainty levels.
doi:10.1155/2016/1801658 fatcat:ijlbqftrsjcmvejlp7nr2gvr44

Synergistic effect of upconversion and plasmons in NaYF4:Yb3+, Er3+, Tm3+@TiO2–Ag composites for MO photodegradation

Yu Gao, Cheng Shi, Jinzhao Feng, Guiyan Zhao, He Yu, Yanfeng Bi, Fu Ding, Yaguang Sun, Zhenhe Xu
2017 RSC Advances  
Structure-based rational design of photocatalysts to enable combination of nanocomponents of radically different properties for enhanced solar energy utilization is a very challenging task.
doi:10.1039/c7ra09368c fatcat:d262ab3wzbbrhm4d6tbc4ea4vq

Evolution of the Complex Partnerships between Banks and B2B e-Trading Platforms: A Theoretical Interpretation from the Chinese Market

Jinzhao Shi, Ju'e Guo, Qiang Du, Libiao Bai, Yi Li, Wenjun Yan, Kin Keung Lai
2020 Complexity  
Shi et al.  ... 
doi:10.1155/2020/9350253 fatcat:4uvjawff3fbydhspmvjubc5h4y

Comparison of the Therapeutic Effects of Acupuncture at PC6 and ST36 for Chronic Myocardial Ischemia

Li Shi, Jiliang Fang, Jiping Zhao, Guiyong Liu, Qing Zhao, Jinling Zhang, Jinzhao Zhang, Bing Zhu, Fanrong Liang, Peijing Rong
2017 Evidence-Based Complementary and Alternative Medicine  
Authors' Contributions Li Shi and Jiliang Fang contributed equally to this paper.  ... 
doi:10.1155/2017/7358059 pmid:28900462 fatcat:32vgaoxt7jgnbh7l2622vc2zyu

The Research on Demands and Development Strategy of Mobile Travel Service--an Empirical Study based on Chinese Scenic Spot

Miao Miao, Jinzhao Shi, Yanfeng Chen
2014 International Journal of Multimedia and Ubiquitous Engineering  
Shi Zhi (2009) constructs a user accept behavior model and proves its efficacy. He also researches the relationship between the tourists' acceptance and usage [38] .  ... 
doi:10.14257/ijmue.2014.9.7.25 fatcat:fafqoimtifhjvjsdvyiql5jwcu

Experimental Analysis in Resistance of Toxic Effects of Cd2+ on Potamogeton crispus Induced by Exogenous Acetosalicylic Acid

WU Xiaoyan, SHI Guoxin, WANG Chuntao, XU Qinsong, WANG Xue, MA Guangyue, HU Jinzhao, WU Guor-ong
2005 Journal of Lake Sciences  
doi:10.18307/2005.0114 fatcat:e6gm3nnynvfvfllcnbrqab5umm

Effects of Forest Composition and Spatial Patterns on Storm Flows of a Small Watershed

Shi Qi, Yunqi Wang, Ge Sun, Yubao Xiao, Jinzhao Zhu, Hailong Yang, Xiaojing Hu, Bin Wu, Yujie Wang, Steve G. McNulty
2009 Journal of the American Water Resources Association  
The peakflow of this flood was 80.4 · 10 3 m 3 ⁄ s and was compared lower than the 1954 flood (92.6 · 10 3 m 3 ⁄ s), but the water level of the 1998 flood was 2-3 m higher than that of 1954 (Shi and Zhang  ... 
doi:10.1111/j.1752-1688.2009.00350.x fatcat:r3bxzbukcrfkdn5exf6w5q2qsi
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