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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 anarXiv:2209.03202v1 fatcat:dofyifhrnffn3cjaqj5lq3n5zy
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.
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 simultaneousdoi:10.1155/2020/9612648 fatcat:lk7izpcwobd43es3h6fbh3ysju
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.
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 anddoi:10.3329/bjb.v44i3.38543 fatcat:tzholvwotvcifks3x3kdxu6hfy
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.
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 wasdoi:10.1590/s1516-89132010000100029 fatcat:napw6fkygbfnxggheex7whv6pe
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.
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 betterdoi:10.3390/w12082300 fatcat:g6oig643yze3rdimexl76vowim
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.
Moreover, equilibrium potentials in CV shi toward the positive direction, as shown in Fig. 10 . ... When the cathodic potentials are negatively shied from À0.40 to À0.52 V, the t m values tend to decrease. ...doi:10.1039/c6ra27383a fatcat:vueald2bmvbelbsizfgwhaa4sa
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. Ourdoi:10.1109/nssmic.2017.8532877 fatcat:wrvnwtcwwjeuvewweoeazvxwim
more »... ign shows a significantly improved performance of the TGS system.
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, thedoi:10.1155/2016/1801658 fatcat:ijlbqftrsjcmvejlp7nr2gvr44
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.
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
Shi et al. ...doi:10.1155/2020/9350253 fatcat:4uvjawff3fbydhspmvjubc5h4y
Authors' Contributions Li Shi and Jiliang Fang contributed equally to this paper. ...doi:10.1155/2017/7358059 pmid:28900462 fatcat:32vgaoxt7jgnbh7l2622vc2zyu
Shi Zhi (2009) constructs a user accept behavior model and proves its efficacy. He also researches the relationship between the tourists' acceptance and usage  . ...doi:10.14257/ijmue.2014.9.7.25 fatcat:fafqoimtifhjvjsdvyiql5jwcu
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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