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Journal articles on the topic 'QuantumATK'

Author: Grafiati

Published: 6 September 2023

Last updated: 31 July 2025

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1

Smidstrup, Søren, Troels Markussen, Pieter Vancraeyveld, et al. "QuantumATK: an integrated platform of electronic and atomic-scale modelling tools." Journal of Physics: Condensed Matter 32, no. 1 (2019): 015901. http://dx.doi.org/10.1088/1361-648x/ab4007.

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Wang, Hanxi, Yuanzhi Ding, Guojun Li, and Yuxuan Song. "Construction and properties analysis of Z-A-Z graphene nanoribbons transistors." Journal of Physics: Conference Series 2313, no. 1 (2022): 012015. http://dx.doi.org/10.1088/1742-6596/2313/1/012015.

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Abstract Based on the first-principles theory combining density-functional theory and non-equilibrium Green’s function, A zigzag-armchair-zigzag (Z-A-Z) graphene nanoribbon transistor model was constructed using the quantumATK tool, and Stone-Wales (SW) defects were introduced. The transmission spectrum, electrical conductivity, gate potential and current-voltage (I-V) characteristics of Z-A-Z graphene nanoribbons were analyzed. By constructing Z-A-Z graphene nanoribbons with SW defects, the effect of defects on their transport properties was explored. The research results can provide a refere

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Dadasho, R., and J. Voves. "The atomistic model of electronic properties of Al₂O₃ and ZnO for the calculations of Al-doped ZnO." Journal of Physics: Conference Series 2701, no. 1 (2024): 012096. http://dx.doi.org/10.1088/1742-6596/2701/1/012096.

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Abstract The final aim of this work is to simulate the electronic properties of Al-doped ZnO (AZO). The density-functional theory with the Coulomb interaction potential (DFT+U) method was used to specify the electronic properties of wurtzite ZnO: band structure and the density of states. The tool for structural and electronic simulation was QuantumATK, produced by Synopsys. The first part of the simulation was based on the modeling of the wurtzite ZnO periodic cell, which consisted of 108 atoms. We tried to get reasonable value of the band structure, which is from 3.30 to 3.37 eV according to

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4

García-Merino, José Antonio. "Cálculo de las propiedades térmicas y mecánicas de nanotubos de carbono a partir de la dispersión de fonones." Científica 25, no. 2 (2021): 1–9. http://dx.doi.org/10.46842/ipn.cien.v25n2a02.

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La importancia de estudiar a los nanotubos de carbono (CNT) desde una perspectiva de cristalinidad es de suma importancia ya que sus propiedades son altamente modificadas en función de su distribución atómica. Este trabajo, describe el cálculo de propiedades térmicas y mecánicas de CNT cristalinos (C-CNT) y de baja cristalinidad (LC-CNT) por medio del estudio numérico de la dispersión de fonones. La estructura de bandas y la densidad de estados de los fonones se obtuvieron por medio de un programa de cómputo (QuantumATK) y considerando CNT de las mismas dimensiones morfológicas. La diferencia

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Mishra, Krishna Kumar, Sonia Chahar, and Rajnish Sharma. "Unveiling the Potential of Double Perovskite Halides Rb2CuSbH6 (H = Cl, Br, I) for Flexible Electronics: An Integrated Study of Structural, Mechanical, Electrical and Optical Properties." East European Journal of Physics, no. 4 (December 8, 2024): 349–59. https://doi.org/10.26565/2312-4334-2024-4-40.

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The structural, mechanical, electrical and optical properties of double perovskite halides like Rb2CuSbH6 (where H = Cl, Br, and I) for flexible electronic devices are fascinating and complex. Extensive literature survey clearly establishes that there has been limited research on analyzing the potential uses of these materials for the highly sought-after sector of flexible electronic devices. In this paper, focused studies have been carried out on investigating the characteristics of these materials using QuantumATK NanoLab Software Tool. All double perovskite halides Rb2CuSbH6 (H = Cl, Br, I)

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6

Narnhofer, H., and W. Thirring. "QuantumK-systems." Communications in Mathematical Physics 125, no. 4 (1989): 565–77. http://dx.doi.org/10.1007/bf01228341.

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7

Jaffe, Arthur, Andrzej Lesniewski, and Konrad Osterwalder. "QuantumK-theory." Communications in Mathematical Physics 118, no. 1 (1988): 1–14. http://dx.doi.org/10.1007/bf01218474.

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8

Sandriana, Fifi, and Rido Putra. "Pengaruh Metode QuantuMaky terhadap Percepatan Menghafal Al-Qur’an Santri di Rumah Tahfiz Mafaza Tangerang." YASIN 5, no. 4 (2025): 4026–39. https://doi.org/10.58578/yasin.v5i4.6464.

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The limited number of studies on the effectiveness of innovative methods for accelerating Qur’anic memorization underlies this research, despite the phenomenon's significant implications for the quality of tahfiz education in the digital era. This study aims to analyze the effect of the QuantuMaky method on the acceleration of Qur’anic memorization among students at Rumah Tahfiz Mafaza Tangerang. Employing a quantitative approach with a survey method, the study involved 82 respondents determined using Slovin’s formula from a population of 450 students. The primary instrument was a Likert-scale

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9

Orlando, R., B. Civalleri, R. Dovesi, and C. Roetti. "Advances in quantumab initiocalculations with theCRYSTALcode." Acta Crystallographica Section A Foundations of Crystallography 64, a1 (2008): C70—C71. http://dx.doi.org/10.1107/s0108767308097742.

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10

Wang, Shuzhou. "QUANTUMax+bGROUP AS QUANTUM AUTOMORPHISM GROUP OFk[x]." Communications in Algebra 30, no. 4 (2002): 1807–15. http://dx.doi.org/10.1081/agb-120013217.

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11

Bužek, V., and G. Drobný. "Signal-pump entanglement in quantumk-photon down-conversion." Physical Review A 47, no. 2 (1993): 1237–46. http://dx.doi.org/10.1103/physreva.47.1237.

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12

Tonita, Valentin. "Twisted orbifold Gromov–Witten invariants." Nagoya Mathematical Journal 213 (March 2014): 141–87. http://dx.doi.org/10.1017/s0027763000026210.

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AbstractLetχbe a smooth proper Deligne–Mumford stack over ℂ. One can define twisted orbifold Gromov–Witten invariants ofχby considering multiplicative invertible characteristic classes of various bundles on the moduli spaces of stable mapsχg,n,d, cupping them with evaluation and cotangent line classes, and then integrating against the virtual fundamental class. These are more general than the twisted invariants introduced by Tseng. We express the generating series of the twisted invariants in terms of the generating series of the untwisted ones. We derive the corollaries which are used in a pa

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13

Ansari, Lida, Paul Hurley, and Farzan Gity. "Two-Dimensional Gallium Selenide (GaSe) Material for Nanoelectronics Application." ECS Meeting Abstracts MA2022-01, no. 12 (2022): 868. http://dx.doi.org/10.1149/ma2022-0112868mtgabs.

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As silicon-based transistors have approached their physical limits, it is urgent to explore alternative materials with a suitable bandgap and high mobility for next generation electronic logic devices. Two‐dimensional (2D) materials have attracted significant attention in the last few years due to their potential exotic transport physics and technological applications in various fields, such as a significant device downscaling for high intensity integration. Recently, a variety of 2D materials have been explored, including graphene [1] and transition metal dichalcogenides (TMDs), e.g., MoS2 [2

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14

Bordiga, S., G. Turnes Palomino, A. Zecchina, G. Ranghino, E. Giamello, and C. Lamberti. "Stoichiometric and sodium-doped titanium silicate molecular sieve containing atomically defined –OTiOTiO– chains: Quantumab initiocalculations, spectroscopic properties, and reactivity." Journal of Chemical Physics 112, no. 8 (2000): 3859–67. http://dx.doi.org/10.1063/1.480533.

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15

Sagong, Hae, Pao-Feng Tsai, Chih-Hsuan Wang, Lynn Brown, and Jos Edison. "ENHANCING MUSCLE FUNCTION IN FRAILTY: FINDINGS FROM A PILOT STUDY ON MAGNETIC MITOHORMESIS THERAPY." Innovation in Aging 8, Supplement_1 (2024): 852–53. https://doi.org/10.1093/geroni/igae098.2758.

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Abstract Magnetic Mitohormesis Therapy (MMT) employs low-amplitude pulsing electromagnetic fields (PEMF) and has demonstrated the ability to enhance muscle function and metabolism. Given that muscle weakness is a key contributor to frailty, this study employed a double-blind pilot randomized controlled crossover trial design involving prefrail/frail participants without neurodegenerative diseases, from two distinct types of long-term care facilities. Eight Participants underwent 12 weeks of twice-weekly treatment followed by 12 weeks of sham control, or vice versa, with two groups randomly ass

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16

Saleh, Ahmed A., Mohammed Elsawee, Mohamed M. Soliman, et al. "Effect of Bacterial or Fungal Phytase Supplementation on the Performance, Egg Quality, Plasma Biochemical Parameters, and Reproductive Morphology of Laying Hens." Animals 11, no. 2 (2021): 540. http://dx.doi.org/10.3390/ani11020540.

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Catalytic and physicochemical properties of microbial phytase sources may differ, affecting phosphorus (P) release and subsequently the productive and reproductive performance of layers. The current study aimed to evaluate the impact of bacterial and fungal phytase sources on layer productivity, egg production, biochemical blood indices, and reproductive morphology. For this purpose, 360 Bovans brown hens at 42 weeks of age were randomly allocated into 4 experimental groups, each with 15 replicates of 6 hens. The first group (control) was fed a basal diet with 4.6 g/kg available P. In contrast

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17

Giuffrida, Dario, Viviana Mollica Nardo, Oreste Adinolfi, Maria Amalia Mastelloni, and Rosina Celeste Ponterio. "A theatrical double-faced mask preserved at the Museum of Lipari (Messina): study and 3D reconstruction through portable equipment." Virtual Archaeology Review 12, no. 24 (2021): 39. http://dx.doi.org/10.4995/var.2021.13916.

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<p class="VARKeywords">The new tools for 3D survey and modelling (as portable scanners and software packages), often in combination with diagnostics, are nowadays able to provide indispensable elements for the study of archaeological artefacts; their applications to museum’s heritage can be also useful to integrate the traditional graphic documentation and contribute to enhancement and dissemination. This paper shows the benefit of using the aforementioned tools to study the peculiar clay mask No. 11114-E, discovered in 1973 in the Greek necropolis of Lipára, inside tomb No. 1558. The sp

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18

Kimlinger, Teresa K., Thomas E. Witzig, and S. Vincent Rajkumar. "Expression of Cytoplasmic and Surface VEGF by Plasma Cells in Myeloma and Related Disorders." Blood 104, no. 11 (2004): 3655. http://dx.doi.org/10.1182/blood.v104.11.3655.3655.

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Abstract Background: Previous studies quantitating VEGF in plasma cells from multiple myeloma (MM), monoclonal gammopathy of undetermined significance (MGUS), and smoldering myeloma (SMM) have found no significant difference in expression between the groups. These studies have been done using immunohistochemistry, quantitative RT-PCR, and Western Blots using material from isolated CD138+ plasma cells. These studies may have been limited by specificity of reagents, low numbers of plasma cells, or heterogeneity within the plasma cell population. Asosingh et al have shown that 5T2MM murine myelom

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19

ZOCO ZABALA, CRISTINA. "EVALUACIÓN Y DELIMITACIÓN DE LAS COMPETENCIAS LOCALES EN FRANCIA: PROBLEMAS Y VENTAJAS DE SU APLICACIÓN EN ESPAÑA." RVAP 86, no. 86 (April 1, 2010): 165–90. http://dx.doi.org/10.47623/ivap-rvap.86.2010.1.05.

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El trabajo ha tenido un doble objetivo. En primer lugar, se han expuesto las ventajas de la experimentación normativa en Francia, con la fi nalidad de que esta técnica pueda ponerse en marcha con ocasión del segundo proceso de descentralización local en España. La experimentación es una técnica jurídica que permite al Estado francés evaluar a priori los resultados de la adaptación del poder reglamentario local a las condiciones previstas en una ley o en un reglamento nacional. Contiene indudables ventajas, pues permite, tras una evaluación positiva, de

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20

Vobulapuram, Ramesh Kumar, Javid Basha Shaik, Venkatramana P., Durga Prasad Mekala, and Ujwala Lingayath. "Design of bilayer graphene nanoribbon tunnel field effect transistor." Circuit World ahead-of-print, ahead-of-print (2021). http://dx.doi.org/10.1108/cw-05-2020-0079.

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Purpose The purpose of this paper is to design novel tunnel field effect transistor (TFET) using graphene nanoribbons (GNRs). Design/methodology/approach To design the proposed TFET, the bilayer GNRs (BLGNRs) have been used as the channel material. The BLGNR-TFET is designed in QuantumATK, depending on 2-D Poisson’s equation and non-equilibrium Green’s function (NEGF) formalism. Findings The performance of the proposed BLGNR-TFET is investigated in terms of current and voltage (I-V) characteristics and transconductance. Moreover, the proposed device performance is compared with the monolayer G

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21

Asif Akhtar, shagufta Parveen, Santashraya Prasad, and Aminul Islam. "First principle atomistic modelling of magnetic tunnel junction (MTJ) to enhance its tunnel magneto-resistance (TMR) ratio." Engineering Research Express, October 3, 2024. http://dx.doi.org/10.1088/2631-8695/ad8338.

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Abstract This paper investigates the impact of electrode materials on the Tunnel Magneto-Resistance (TMR) ratio of Magnetic Tunnel Junction (MTJ) device. Four different structures of MTJ have been simulated by using cobalt (Co), Nickel (Ni), Iron (Fe) and two alloy materials of nickel-iron (NiFe) and cobalt-iron (CoFe). These materials have been used as ferromagnetic electrodes. Mulliken population and transmission spectrum observed in both parallel and antiparallel configurations of these devices to understand the spin transport properties and Tunnel Magneto-Resistance (TMR) ratio has been es

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22

Meyerowitz, Glen, Armeen Mehraban Mehrabani, Iheanacho Obi Emeruwa, Nicholas Jackson, and Kristin Schwab. "Design and efficacy of a novel low-cost ventilator: A feasibility study on artificial lungs." Journal of Medical Research and Innovation, June 27, 2022, 1–8. http://dx.doi.org/10.25259/jmri_33_2021.

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Objectives: The emergent need for ventilators amidst the COVID-19 pandemic has catalyzed the production of innovative ventilator designs in hopes to optimize supply, manufacturing, ease of use, and cost in disaster situations. We created a novel and low-cost ventilator called QuantumAir, which uses “choked flow” to perform volume assist-control ventilation. Material and Methods: To evaluate the efficacy and safety of QuantumAir, we tested the ventilator across eight test cases on a lung simulator, with each test case trial lasting for at least 24 breath cycles. Delivered tidal volumes, peak in

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23

Karthikeyan, Sengunthar, and Mantu K. Hudait. "Role of tin clustering in band structure and thermodynamic stability of GeSn by atomistic modeling." Journal of Vacuum Science & Technology B 42, no. 3 (2024). http://dx.doi.org/10.1116/6.0003563.

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Synthesis of device-quality GeSn materials with higher Sn compositions is hindered by various factors, such as Sn segregation, clustering, and short-range ordering effects. In the present work, the impact of the clustering of Sn atoms in a GeSn semiconductor alloy was studied by density functional theory using SG15 pseudopotentials in a Synopsys QuantumATK tool, where the thermodynamic stability, effective band structure, indirect and direct bandgaps, and density of states (DOS) were computed to highlight the difference between a cluster-free random GeSn alloy and a GeSn alloy with Sn–Sn clust

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24

Chahar, Sonia, Krishna Kumar Mishra, and Rajnish Sharma. "Analysing the suitability of CaTiO₃/Ca_1-xSr_xTiO₃/ SrTiO₃ Perovskite for fabrication of optoelectronic devices using QuantumATK Tool: a study for electronic and optical properties." Physica Scripta, February 15, 2024. http://dx.doi.org/10.1088/1402-4896/ad29cd.

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Abstract Calcium Titanate (CaTiO3) as a material has been researched for various applications like those in capacitors, piezoelectric devices and ceramic applications. Same has been possible owing to the exhibition of various characteristics of this material like high melting point (1,625°C) and dielectric properties. However, only limited studies have been conducted to understand the impact of Strontium (Sr) doping and possibility of adopting this material into any kind of optoelectronic applications. This paper carries on an in-depth analysis on CaTiO3 and study effect of Sr as a dopant on i

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25

Hevia, Jose Luis, Guido Peterssen, and Mario Piattini. "QuantumPath : A quantum software development platform." Software: Practice and Experience, December 23, 2021. http://dx.doi.org/10.1002/spe.3064.

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26

Brandsen, Sarah, Michele Dall'Arno, and Anna Szymusiak. "Communication capacity of mixed quantumt-designs." Physical Review A 94, no. 2 (2016). http://dx.doi.org/10.1103/physreva.94.022335.

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27

Cao, L., and J. M. Schwarz. "Level statistics for quantumk-core percolation." Physical Review B 86, no. 6 (2012). http://dx.doi.org/10.1103/physrevb.86.064206.

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28

Knysh, Sergey, and Vadim N. Smelyanskiy. "Statistical mechanics of the quantumK-satisfiability problem." Physical Review E 78, no. 6 (2008). http://dx.doi.org/10.1103/physreve.78.061128.

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29

Cao, L., and J. M. Schwarz. "Quantumk-core conduction on the Bethe lattice." Physical Review B 82, no. 10 (2010). http://dx.doi.org/10.1103/physrevb.82.104211.

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30

Schielein, Richard, Melanie Basting, Kilian Dremel, et al. "Quantum Computing and Computed Tomography: A Roadmap towards QuantumCT." e-Journal of Nondestructive Testing 27, no. 3 (2022). http://dx.doi.org/10.58286/26565.

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Quantum computing (QC) is considered as a rising star of computing technologies with very promising possibilities towards novel solutions of even more complex computing tasks than those which are tackled using today’s supercomputers. However, direct use in everyday applications is lacking both: large scale quantum computers and quantum algorithms, i.e. software. We are carrying out the first project on a road towards QC enabled Computed Tomography (CT). In our paper we present this project after its first out of five years duration and share the first steps we made with the community. It is wo

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31

Stenrup, Michael, Åsa Larson, and Nils Elander. "Mutual neutralization in low-energyH++H−collisions: A quantumab initiostudy." Physical Review A 79, no. 1 (2009). http://dx.doi.org/10.1103/physreva.79.012713.

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32

Li, Hengyue, Yusheng Yang, Pin Lv, et al. "Utilizing Quantum Processor for the Analysis of Strongly Correlated Materials." Physica Scripta, September 3, 2024. http://dx.doi.org/10.1088/1402-4896/ad770b.

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Abstract Abstract This study introduces a systematic approach for analyzing strongly correlated systems by adapting the conventional quantum cluster method to a quantum circuit model. We have developed a more concise formula for calculating the cluster's Green's function, requiring only real-number computations on the quantum circuit instead of complex ones. This approach is inherently more suited to quantum circuits, which primarily yield statistical probabilities. As an illustrative example, we explored the Hubbard model on a 2D lattice. The ground state was determined utilizing Xiaohong, a

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33

Immediate, Edge App. "Immediate Edge App Review." April 4, 2022. https://doi.org/10.5281/zenodo.6410445.

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Immediate Edge App - Advanced change significantly affects numerous areas of our lives or even the way in which we make cash. Presently with innovation, we will change <strong>Immediate Edge App</strong> and different cryptographic forms of money from the reassurance of our homes or at the go, it's miles did with trading robots.We were following the News, and the creating style is all around certainly worth our consideration, it's miles now practical to start making a living latently with trading robots.Brokers can likewise moreover furthermore need to endeavor out various bots - Quant

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Gorelov, Vitaly, David M. Ceperley, Markus Holzmann, and Carlo Pierleoni. "Electronic structure and optical properties of quantum crystals from first principles calculations in the Born–Oppenheimer approximation." December 21, 2020. https://doi.org/10.1063/5.0031843.

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We develop a formalism to accurately account for the renormalization of electronic structure due to quantumand thermal nuclear motions within the Born-Oppenheimer approximation. We focus on the fundamentalenergy gap obtained from electronic addition and removal energies from Quantum Monte Carlo calculations ineither the canonical or grand canonical ensembles. The formalism applies as well to effective single electrontheories such as those based on Density Functional Theory. We show that electronic (Bloch) crystal momentumcan be restored by marginalizing the total electron-ion wave function wit

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35

Fisara, Petr, and Frank Guerino. "Year-round efficacy of a single treatment of fluralaner injectable suspension (Bravecto QuantumTM) against repeated infestations with Ixodes holocyclus in dogs." Parasites & Vectors 16, no. 1 (2023). http://dx.doi.org/10.1186/s13071-023-05951-6.

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Abstract Background The longer the duration of protection of an acaricide against canine infestation with Ixodes holocyclus, the lower the risk of gaps in tick control programs that will place dogs at risk of potentially fatal tick-induced paralysis. Two studies investigated the duration of efficacy provided by a novel injectable suspension of fluralaner (Bravecto QuantumTM) against this tick species. Methods In both studies, 20 clinically healthy dogs were randomized to an untreated control group or to a group treated once, on Day 0, with the injectable fluralaner suspension (15 mg/kg). Dogs

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