scholarly journals The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry

Nanomaterials ◽  
2022 ◽  
Vol 12 (2) ◽  
pp. 243
Author(s):  
Ivana Miháliková ◽  
Matej Pivoluska ◽  
Martin Plesch ◽  
Martin Friák ◽  
Daniel Nagaj ◽  
...  

New approaches into computational quantum chemistry can be developed through the use of quantum computing. While universal, fault-tolerant quantum computers are still not available, and we want to utilize today’s noisy quantum processors. One of their flagship applications is the variational quantum eigensolver (VQE)—an algorithm for calculating the minimum energy of a physical Hamiltonian. In this study, we investigate how various types of errors affect the VQE and how to efficiently use the available resources to produce precise computational results. We utilize a simulator of a noisy quantum device, an exact statevector simulator, and physical quantum hardware to study the VQE algorithm for molecular hydrogen. We find that the optimal method of running the hybrid classical-quantum optimization is to: (i) allow some noise in intermediate energy evaluations, using fewer shots per step and fewer optimization iterations, but ensure a high final readout precision; (ii) emphasize efficient problem encoding and ansatz parametrization; and (iii) run all experiments within a short time-frame, avoiding parameter drift with time. Nevertheless, current publicly available quantum resources are still very noisy and scarce/expensive, and even when using them efficiently, it is quite difficult to perform trustworthy calculations of molecular energies.

Author(s):  
I. F. Gorlov ◽  
A. A. Mosolov ◽  
G. V. Komlatskiy ◽  
M. A. Nesterenko ◽  
K. D. Nimbona ◽  
...  

The article presents materials on the study of the possibility of reproduction and increase in the herd of highly productive cows through the use of embryo transplantation technology. The classical (in vivo) and more modern, developing (in vitro) methods of embryotransfer, their positive and negative sides are considered in detail. The possibility of accelerating the breeding process by using the method of transplantation, in which from one cow can be obtained from 10 to 100 calves, which will allow for 4-5 years, almost any herd (of any size and breed) with the help of biotechnology to turn into a cattle-breeding enterprise of the most modern level. At the same time, heifers obtained from unproductive cows can be used as "surrogate" mothers who are transplanted with the best donor embryos, which allows to obtain a full-fledged offspring adapted to local environmental conditions. A detailed scheme of obtaining, evaluation, storage, as well as the cost and economic effect of embryo transplantation was calculated, the market was evaluated, the required annual volume of transplants and the number of donor cows for large livestock farms were determined. As a positive example of "Scientific-production enterprise "Centre of biotechnology and embryo transfer" in 2014, implemented a project for accelerated replacement and genetic improvement of the dairy herd, engraftment averaged 57-69%, and the economic effect of the enterprise from getting a single animal by the method of embryo transfer, compared with imports of similar close in quality, ranged from 60 to 100 thousand rubles on his head. It is shown that it is necessary to organize at the state level a developed service for embryo transplantation to reduce the cost of embryo transfer and the possibility of creating in a short time in the country's own highly productive breeding nucleus of dairy and beef cattle, which will reduce, and in the future completely eliminate, import dependence on cattle products.


Materials ◽  
2021 ◽  
Vol 14 (14) ◽  
pp. 3872
Author(s):  
Klytaimnistra Katsara ◽  
George Kenanakis ◽  
Zacharias Viskadourakis ◽  
Vassilis M. Papadakis

For multiple years, food packaging migration has been a major concern in food and health sciences. Plastics, such as polyethylene, are continuously utilized in food packaging for preservation and easy handling purposes during transportation and storage. In this work, three types of cheese, Edam, Kefalotyri and Parmesan, of different hardness were studied under two complementary vibrational spectroscopy methods, ATR-FTIR and Raman spectroscopy, to determine the migration of low-density polyethylene from plastic packaging to the surface of cheese samples. The experimental duration of this study was set to 28 days due to the degradation time of the selected cheese samples, which is clearly visible after 1 month in refrigerated conditions at 4 °C. Raman and ATR-FTIR measurements were performed at a 4–3–4–3 day pattern to obtain comparative results. Initially, consistency/repeatability measurement tests were performed on Day0 for each sample of all cheese specimens to understand if there is any overlap between the characteristic Raman and ATR-FTIR peaks of the cheese with the ones from the low-density polyethylene package. We provide evidence that on Day14, peaks of low-density polyethylene appeared due to polymeric migration in all three cheese types we tested. In all cheese samples, microbial outgrowth started to develop after Day21, as observed visually and under the bright-field microscope, causing peak reverse. Food packaging migration was validated using two different approaches of vibrational spectroscopy (Raman and FT-IR), revealing that cheese needs to be consumed within a short time frame in refrigerated conditions at 4 °C.


Agronomy ◽  
2019 ◽  
Vol 9 (11) ◽  
pp. 673 ◽  
Author(s):  
John Clifton-Brown ◽  
Kai-Uwe Schwarz ◽  
Danny Awty-Carroll ◽  
Antonella Iurato ◽  
Heike Meyer ◽  
...  

Miscanthus, a C4 perennial grass native to Eastern Asia, is being bred to provide biomass for bioenergy and biorenewable products. Commercial expansion with the clonal hybrid M. × giganteus is limited by low multiplication rates, high establishment costs and drought sensitivity. These limitations can be overcome by breeding more resilient Miscanthus hybrids propagated by seed. Naturally occurring fast growing indigenous Miscanthus species are found in diverse environments across Eastern Asia. The natural diversity provides for plant breeders, the genetic resources to improve yield, quality, and resilience for a wide range of climates and adverse abiotic stresses. The challenge for Miscanthus breeding is to harness the diversity through selections of outstanding wild types, parents, and progenies over a short time frame to deploy hybrids that make a significant contribution to a world less dependent on fossil resources. Here are described the strategies taken by the Miscanthus breeding programme at Aberystwyth, UK and its partners. The programme built up one of the largest Miscanthus germplasm collections outside Asia. We describe the initial strategies to exploit the available genetic diversity to develop varieties. We illustrate the success of combining diverse Miscanthus germplasm and the selection criteria applied across different environments to identify promising hybrids and to develop these into commercial varieties. We discuss the potential for molecular selections to streamline the breeding process.


Author(s):  
Niels Hørbye Christiansen ◽  
Per Erlend Torbergsen Voie ◽  
Jan Høgsberg ◽  
Nils Sødahl

Dynamic analyses of slender marine structures are computationally expensive. Recently it has been shown how a hybrid method which combines FEM models and artificial neural networks (ANN) can be used to reduce the computation time spend on the time domain simulations associated with fatigue analysis of mooring lines by two orders of magnitude. The present study shows how an ANN trained to perform nonlinear dynamic response simulation can be optimized using a method known as optimal brain damage (OBD) and thereby be used to rank the importance of all analysis input. Both the training and the optimization of the ANN are based on one short time domain simulation sequence generated by a FEM model of the structure. This means that it is possible to evaluate the importance of input parameters based on this single simulation only. The method is tested on a numerical model of mooring lines on a floating off-shore installation. It is shown that it is possible to estimate the cost of ignoring one or more input variables in an analysis.


2006 ◽  
Vol 290 (2) ◽  
pp. H894-H903 ◽  
Author(s):  
Ghassan S. Kassab

The branching pattern and vascular geometry of biological tree structure are complex. Here we show that the design of all vascular trees for which there exist morphometric data in the literature (e.g., coronary, pulmonary; vessels of various skeletal muscles, mesentery, omentum, and conjunctiva) obeys a set of scaling laws that are based on the hypothesis that the cost of construction of the tree structure and operation of fluid conduction is minimized. The laws consist of scaling relationships between 1) length and vascular volume of the tree, 2) lumen diameter and blood flow rate in each branch, and 3) diameter and length of vessel branches. The exponent of the diameter-flow rate relation is not necessarily equal to 3.0 as required by Murray's law but depends on the ratio of metabolic to viscous power dissipation of the tree of interest. The major significance of the present analysis is to show that the design of various vascular trees of different organs and species can be deduced on the basis of the minimum energy hypothesis and conservation of energy under steady-state conditions. The present study reveals the similarity of nature's scaling laws that dictate the design of various vascular trees and the underlying physical and physiological principles.


2021 ◽  
Author(s):  
Aristides Moustakas

Abstract Disease spread is a complex phenomenon requiring an interdisciplinary approach. Covid-19 exhibited a global spatial spread in a very short time frame resulting in a global pandemic. Data of new Covid-19 cases per million were analysed worldwide at the spatial scale of a country and time replicated from the end of December 2019 to late May 2020. Data driven analysis of epidemiological, economic, public health, and governmental intervention variables was performed in order to select the optimal variables in explaining new Covid-19 cases across all countries in time. Sequentially, hierarchical variance partitioning of the optimal variables was performed in order to quantify the independent contribution of each variable in the total variance of new Covid-19 cases per million. Results indicated that from the variables available new tests per thousand explained the vast majority of the total variance in new cases (51.6%) followed by the governmental stringency index (15.2%). Availability of hospital beds per 100k inhabitants explained 9% extreme poverty explained 8.8%, hand washing facilities 5.3%, the fraction of the population aged 65 or older explained 3.9%, and other disease prevalence (cardiovascular diseases plus diabetes) explained 2.9%. The percentage of smokers within the population explained 2.6% of the total variance, while population density explained 0.6%.


2009 ◽  
Vol 133 (9) ◽  
pp. 1457-1462
Author(s):  
Anurag Saxena ◽  
Raenelle Nesbitt ◽  
Punam Pahwa ◽  
Sheryl Mills

Abstract Context.—Second-year medical students are introduced to many new terms and concepts in a short time frame in the hematology system and the neoplasia section of the undergraduate pathology course. It is a challenge to provide adequate practice and necessary repetition to reinforce key concepts. Objective.—To determine student perceptions of the usefulness of crosswords as a quick and effective way to reinforce essential concepts and vocabulary. Design.—Crosswords with ensured content validity built on a free Internet resource were completed by the students in collaborative and cooperative groups of 6 to 7 with a reward for the first group to successfully complete the puzzle. Student perceptions of the value of crosswords for their learning were examined in 2003 (39 students) with a survey of yes or no responses and in 2004 (41 students) with a survey using questions with a 5-point Likert scale. Results.—Many students (37 of 39 in 2003 and 24 of 41 in 2004) indicated that crosswords were useful and contributed to their learning. Specifically, crosswords were found to be useful for identifying key concepts and vocabulary and for their collaborative and competitive aspects. Written and informal comments indicated student enthusiasm for and a desire to participate in more of these exercises. Students have transferred this review strategy to other classes and the peer teachers have expressed an interest in it as an adjunct teaching tool. Conclusions.—The judicious use of crosswords was useful for near transfer content and provided an opportunity to discuss and recall essential concepts, think critically, and collaborate in small groups.


2020 ◽  
Vol 4 (157) ◽  
pp. 7-11
Author(s):  
V. Zhvan ◽  
V. Donenko ◽  
S. Kulish ◽  
A. Taran

The article is devoted to the effective analysis of trench and trenchless pipeline laying technologies. In the course of the work, an analytical review of pipeline assembly was performed, the main technological parameters, the scope of each method, and their advantages and disadvantages were determined. List of considered pipeline laying methods: trenching, horizontal directional drilling, mechanical puncture, hydraulic puncture, microtunneling and punching. The article analyzes the classical trench method and the most widely used trenchless ones: horizontal directional drilling; mechanical puncture; hydraulic puncture; microtunneling; punching. Each of these methods has several advantages and disadvantages. The choice of the optimal method of laying the pipeline depends on many factors: the physical and mechanical properties of soils and hydrogeological conditions, the length and diameter of the pipeline, the presence of other communications, buildings and structures, as well as the budget that customers have. Work time is the last deciding factor. Based on the results of the analysis of pipeline laying technologies and expert survey of construction industry experts, the cost table of each method was compiled, outlining the main characteristics of the technology: length of pipeline, speed of work, scope, cost, and the advantages and disadvantages of each of the considered methods. The conclusions about the use of each of the pipeline laying methods were made. Each of the methods has its advantages and disadvantages, so to choose the method of work it is necessary to conduct a comprehensive assessment of technological parameters, cost, scope and timing of work. The cost of lay-ing the pipeline consists of the following factors: conducting research; selection of diameter and determination of pipeline length; choice of laying method and equipment necessary for the works; selection of equipment, shut-off and control equipment and other materials arranged on the pipeline; terms of performance of works. Taking into account these factors, an estimate is made, which determines the cost of installation of a particular pipeline. After the analysis, we can conclude that among the methods of trenchless laying of pipelines can be identi-fied horizontally directional drilling, it is this method of laying the pipeline will be appropriate to use for our region. The drilling technique allows to carry out pipelines under obstacles, to pull long segments of networks, to repair site damage. This method is universal and can be used in almost any environment. Keywords: trenches, horizontal directional drilling, mechanical puncture, hydraulic piercing, microtunnelling, punching, pipeline.


Author(s):  
K. B. Gurnov ◽  
E. M. Izotova

At the present stage of development of surveillance tools, the most popular are radar tools. A special place among such systems is occupied by radars with a synthesized antenna aperture, which make it possible to obtain high-resolution radar images with a relatively small size of the antenna system. The creation of such radar facilities has a number of features, which increases the cost of the development process and increases the time frame, and verification of work can be complicated by the inability to form the required conditions. To eliminate such difficulties, it is advisable to create adequate mathematical models of systems that would allow you to conduct all the necessary tests and work out algorithms, with minimal time spent. In this paper, a phenomenological model of the reflected signal in SAR is proposed, and a SAR model is developed that has a block structure and can be supplemented with modules to identify new dependencies.


2021 ◽  
Vol 8 (12) ◽  
Author(s):  
Steven Hancock ◽  
Ciara McGrath ◽  
Christopher Lowe ◽  
Ian Davenport ◽  
Iain Woodhouse

Lidar is the optimum technology for measuring bare-Earth elevation beneath, and the structure of, vegetation. Consequently, airborne laser scanning (ALS) is widely employed for use in a range of applications. However, ALS is not available globally nor frequently updated due to its high cost per unit area. Spaceborne lidar can map globally but energy requirements limit existing spaceborne lidars to sparse sampling missions, unsuitable for many common ALS applications. This paper derives the equations to calculate the coverage a lidar satellite could achieve for a given set of characteristics (released open-source), then uses a cloud map to determine the number of satellites needed to achieve continuous, global coverage within a certain time-frame. Using the characteristics of existing in-orbit technology, a single lidar satellite could have a continuous swath width of 300 m when producing a 30 m resolution map. Consequently, 12 satellites would be needed to produce a continuous map every 5 years, increasing to 418 satellites for 5 m resolution. Building 12 of the currently in-orbit lidar systems is likely to be prohibitively expensive and so the potential of technological developments to lower the cost of a global lidar system (GLS) are discussed. Once these technologies achieve a sufficient readiness level, a GLS could be cost-effectively realized.


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