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arXiv 2021年

作者： Bafekry, Asadolah Fadlallah, M.M. Faraji, M. Shafique, A. Jappor, H.R. Abdolhoseini Sarsari, I. Ang, Yee Sin Ghergherehchi, M. Department of Radiation Application Shahid Beheshti University Tehran*** Iran Department of Physics Faculty of Science Benha University Benha13518 Egypt Micro and Nanotechnology Graduate Program TOBB University of Economics and Technology Sogutozu Caddesi No 43 Sogutozu Ankara06560 Turkey Department of Physics Lahore University of Management Sciences Lahore Pakistan Department of Physics College of Education for Pure Sciences University of Babylon Hilla Iraq Department of Physics Isfahan University of Technology Isfahan84156-83111 Iran Cluster Singapore University of Technology and Design Singapore487372 Singapore Department of Electrical and Computer Engineering Sungkyunkwan University Suwon16419 Korea Republic of

Low-symmetry Penta-PdPSe with intrinsic in-plane anisotropy synthesized successfully [P. Li et al., Adv. Mater., 2102541 (2021)]. Motivated by this experimental discovery, we investigate the structural, mechanical, electronic, optical and thermoelectric properties of PdPSe monolayer via density functional theory calculations. The phonon dispersion, molecular dynamics simulation, the cohesive energy mechanical properties of the penta-PdPSe monolayer is verified to confirm its stability. The phonon spectrum represents a striking gap between the high-frequency and the low-frequency optical branches and an out-of-plane flexure mode with a quadratic dispersion in the long-wavelength limit. The Poisson’s ratio indicates that penta-PdPSe is a brittle monolayer. The pendaPdPSe monolayer is an indirect semiconductor with bandgap of 1.40 (2.07) eV using PBE (HSE06) functional. Optical properties simulation suggests that PdPSe is capable of absorbing a substantial range of visible to ultraviolet light. Band alignment analysis also reveals the compatibility of PdPSe for water splitting photocatalysis application. By combining the electrical and thermal transport properties of PdPSe, we show that a high PF is achievable at room temperature, thus making PdPSe a candidate material for thermoelectric application. Our findings reveal the strong potential of penta-PdPSe monolayer for a wide array of applications, including optoelectronic, water splitting and thermoelectric device applications. © 2021, CC BY.

关键词： Monolayers

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Kramers Nodal Lines and Weyl Fermions in SmAlSi

arXiv

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arXiv 2022年

作者： Zhang, Yichen Gao, Yuxiang Gao, Xue-Jian Lei, Shiming Ni, Zhuoliang Oh, Ji Seop Huang, Jianwei Yue, Ziqin Zonno, Marta Gorovikov, Sergey Hashimoto, Makoto Lu, Donghui Denlinger, Jonathan D. Birgeneau, Robert J. Kono, Junichiro Wu, Liang Law, Kam Tuen Morosan, Emilia Yi, Ming Department of Physics and Astronomy Rice University HoustonTX77005 United States Department of Physics Hong Kong University of Science and Technology Clear Water Bay Hong Kong Department of Physics and Astronomy University of Pennsylvania PhiladelphiaPA19104 United States Department of Physics University of California BerkeleyCA94720 United States Applied Physics Graduate Program Smalley-Curl Institute Rice University HoustonTX77005 United States Canadian Light Source Inc. 44 Innovation Boulevard SaskatoonSKS7N 2V3 Canada Stanford Synchrotron Radiation Lightsource SLAC National Accelerator Laboratory 2575 Sand Hill Road Menlo ParkCA94025 United States Advanced Light Source Lawrence Berekeley National Laboratory BerkeleyCA94720 United States Materials Science Division Lawrence Berekeley National Laboratory BerkeleyCA94720 United States Department of Electrical and Computer Engineering Rice University HoustonTX77005 United States Department of Materials Science and Nanoengineering Rice University HoustonTX77005 United States

Kramers nodal lines (KNLs) have recently been proposed theoretically as a special type of Weyl line degeneracy connecting time-reversal invariant momenta. KNLs are robust to spin orbit coupling and are inherent to all non-centrosymmetric achiral crystal structures, leading to unusual spin, magneto-electric, and optical properties. However, their existence in in real quantum materials has not been experimentally established. Here we gather the experimental evidence pointing at the presence of KNLs in SmAlSi, a non-centrosymmetric metal that develops incommensurate spin density wave order at low temperature. Using angle-resolved photoemission spectroscopy, density functional theory calculations, and magneto-transport methods, we provide evidence suggesting the presence of KNLs, together with observing Weyl fermions under the broken inversion symmetry in the paramagnetic phase of SmAlSi. We discuss the nesting possibilities regarding the emergent magnetic orders in SmAlSi. Our results provide a solid basis of experimental observations for exploring correlated topology in SmAlSi. © 2022, CC BY-NC-SA.

关键词： Temperature

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OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials

arXiv

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arXiv 2023年

作者： Eastman, Peter Galvelis, Raimondas Peláez, Raúl P. Abreu, Charlles R.A. Farr, Stephen E. Gallicchio, Emilio Gorenko, Anton Henry, Michael M. Hu, Frank Huang, Jing Krämer, Andreas Michel, Julien Mitchell, Joshua A. Pande, Vijay S. Rodrigues, João P.G.L.M. Rodriguez-Guerra, Jaime Simmonett, Andrew C. Singh, Sukrit Swails, Jason Turner, Philip Wang, Yuanqing Zhang, Ivy Chodera, John D. De Fabritiis, Gianni Markland, Thomas E. Department of Chemistry Stanford University StanfordCA94305 United States Acellera Labs C Dr Trueta 183 Barcelona08005 Spain C Dr. Aiguader 88 Barcelona08003 Spain Chemical Engineering Department School of Chemistry Federal University of Rio de Janeiro Rio de Janeiro68542 Brazil Redesign Science Inc. 180 Varick St. New YorkNY10014 United States EaStCHEM School of Chemistry University of Edinburgh EH9 3FJ United Kingdom Department of Chemistry and Biochemistry Brooklyn College The City University of New York NY United States Ph.D. Program in Chemistry Ph.D. Program in Biochemistry The Graduate Center of the City University of New York New YorkNY United States Stream HPC Koningin Wilhelminaplein 1 - 40601 Amsterdam1062 HG Netherlands Computational and Systems Biology Program Sloan Kettering Institute Memorial Sloan Kettering Cancer Center New YorkNY10065 United States Key Laboratory of Structural Biology of Zhejiang Province School of Life Sciences Westlake University 18 Shilongshan Road Zhejiang Hangzhou310024 China Department of Mathematics and Computer Science Freie Universität Berlin Arnimallee 12 Berlin14195 Germany The Open Force Field Initiative Open Molecular Software Foundation DavisCA95616 United States Andreessen Horowitz 2865 Sand Hill Rd Menlo ParkCA94025 United States Department of Structural Biology Stanford University StanfordCA94305 United States Charité Universitätsmedizin Berlin In silico Toxicology and Structural Bioinformatics Virchowweg 6 Berlin10117 Germany Laboratory of Computational Biology National Heart Lung and Blood Institute National Institutes of Health BethesdaMD20892 United States Entos Inc. 9310 Athena Circle La Jolla CA92037 United States College of Engineering Virginia Polytechnic Institute State University BlacksburgVA24061 United States Simons Center for Computational Physical Chemistry Center for Data Science New York University 24 Waverly Place New YorkNY10004 United States T

Machine learning plays an important and growing role in molecular simulation. The newest version of the OpenMM molecular dynamics toolkit introduces new features to support the use of machine learning potentials. Arbitrary PyTorch models can be added to a simulation and used to compute forces and energy. A higher-level interface allows users to easily model their molecules of interest with general purpose, pretrained potential functions. A collection of optimized CUDA kernels and custom PyTorch operations greatly improves the speed of simulations. We demonstrate these features on simulations of cyclin-dependent kinase 8 (CDK8) and the green fluorescent protein (GFP) chromophore in water. Taken together, these features make it practical to use machine learning to improve the accuracy of simulations at only a modest increase in cost. Copyright © 2023, The Authors. All rights reserved.

关键词： Machine learning

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Deep learning for classification and severity estimation of coffee leaf biotic stress

arXiv

引用

arXiv 2019年

作者： Esgario, José G. M. Krohling, Renato A. Ventura, José A. Federal University of Espìrito Santo Brazil PPGI - Graduate Program in Computer Science Production Engineering Department Incaper Rua Afonso Sarlo 160 Bento Ferreira Vitòria ES29052-010 Brazil

Biotic stress consists of damage to plants through other living organisms. Efficient control of biotic agents such as pests and pathogens (viruses, fungi, bacteria, etc.) is closely related to the concept of agricultural sustainability. Agricultural sustainability promotes the development of new technologies that allow the reduction of environmental impacts, greater accessibility to farmers and, consequently, increase on productivity. The use of computer vision with deep learning methods allows the early and correct identification of the stress-causing agent. So, corrective measures can be applied as soon as possible to mitigate the problem. The objective of this work is to design an effective and practical system capable of identifying and estimating the stress severity caused by biotic agents on coffee leaves. The proposed approach consists of a multi-task system based on convolutional neural networks. In addition, we have explored the use of data augmentation techniques to make the system more robust and accurate. The experimental results obtained for classification as well as for severity estimation indicate that the proposed system might be a suitable tool to assist both experts and farmers in the identification and quantification of biotic stresses in coffee plantations. Copyright © 2019, The Authors. All rights reserved.

关键词： Agriculture

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Static Taint Analysis Traversal with Object Oriented Component for Web File Injection Vulnerability Pattern Detection

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Procedia computer science 2018年 135卷 596-605页

作者： Aditya Kurniawan Bahtiar Saleh Abbas Agung Trisetyarso Sani Muhammad Isa Computer Science Department School of Computer Science Bina Nusantara University Jakarta Indonesia 11480 Computer Science Department BINUS Graduate Program – Doctor of Computer Science Bina Nusantara University Jakarta Indonesia 11480 Industrial Engineering Department Faculty of Engineering Bina Nusantara University Jakarta Indonesia 11480 Computer Science Department BINUS Graduate Program – Master of Computer Science Bina Nusantara University Jakarta Indonesia 11480

We introduce a composition of object-oriented component PHP grammar for taint analysis. Our novel method successfully restructured the PHP parser and reduced grammar artifact objects that must be visited in a taint analysis process by up to 52% grammar variation. Taint analysis is an analysis that detects any injection vulnerability pattern in source code. The analysis identifies the information flow of untrustworthy input that affects the sensitive sink or part of the system. The static taint analysis was run on an abstract syntax tree and traversed all nodes. A static taint analysis uses a parser to traverse abstract syntax trees of the source code. A web PHP parser has 140 grammar combinations in an abstract syntax tree, which has to be traversed to recognize the tainted flow pattern. Additionally, there are many variations of syntax and coding styles for tainted flow patterns. Therefore, the amount of combinations will consume many computation resources.

关键词： web shell backdoor classification function call

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Observation of anti-parity-time-symmetry, phase transitions and exceptional points in an optical fibre

arXiv

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arXiv 2020年

作者： Bergman, Arik Duggan, Robert Sharma, Kavita Tur, Moshe Zadok, Avi Alù, Andrea Faculty of Engineering Institute for Nano-Technology and Advanced Materials Bar-Ilan University Ramat-Gan5290002 Israel Photonics Initiative Advanced Science Research Center City University of New York New YorkNY10031 United States Department of Electrical and Computer Engineering University of Texas at Austin AustinTX78712 United States School of Electrical Engineering Tel-Aviv University Tel-Aviv6997801 Israel Physics Program Graduate Center City University of New York New YorkNY10026 United States

The exotic physics emerging in non-Hermitian systems with balanced distributions of gain and loss has drawn a great deal of attention in recent years. These systems exhibit phase transitions and exceptional point singularities in their spectra, at which eigen-values and eigen-modes coalesce and the overall dimensionality is reduced. Among several peculiar phenomena observed at exceptional points, an especially intriguing property, with relevant practical potential, consists in the inherently enhanced sensitivity to small-scale perturbations. So far, however, these principles have been implemented at the expenses of precise fabrication and tuning requirements, involving tailored nano-structured devices with controlled distributions of optical gain and loss. In this work, anti-parity-time symmetric phase transitions and exceptional point singularities are demonstrated in a single strand of standard single-mode telecommunication fibre, using a setup consisting of entirely of off-the-shelf components. Two propagating signals are amplified and coupled through stimulated Brillouin scattering, which makes the process non-Hermitian and enables exquisite control over gain and loss. Singular response to small variations around the exceptional point and topological features arising around this singularity are experimentally demonstrated with large precision, enabling robustly enhanced spectral response to small-scale changes in the Brillouin frequency shift. Our findings open exciting opportunities for the exploration of non-Hermitian phenomena over a table-top setup, with straightforward extensions to higher-order Hamiltonians and applications in quantum optics, nanophotonics and sensing. Copyright © 2020, The Authors. All rights reserved.

关键词： Optical fibers

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E-payment for Jakarta Smart Public Transportation, Using the Point System for E-Commerce

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Journal of Physics: Conference Series 2020年第2期1477卷

作者： Nizirwan Anwar Rasjidin, Roesfiansjah Najoan, Daniel Stephanus Rolando, Christopher Tamimmanar Harco Leslie Hendric Spits Warnars Faculty of Computer Science Esa Unggul University Jakarta Indonesia 11510 Faculty of Engineering Esa Unggul University Jakarta Indonesia 11510 Computer Science Department School of Computer Science Bina Nusantara University Jakarta Indonesia 11480 Computer Science Department BINUS Graduate Program - Doctor of Computer Science Bina Nusantara University Jakarta Indonesia 11480

The ease of using transportation is one of the most critical things in the city with a significant population like Jakarta. The growth of the population in Jakarta is increased rapidly. The wage that Many transportations are causing a traffic jam in Jakarta. The government suggests that people use public transportation for their mobility. However, people choose to use their vehicles rather than public transportation. The main reason is that public transportation cannot guarantee the arriving time, whether it is on time or not. Many people move on to online transportation services. However, the massive growth of online transportation is still a contradiction as public transportation. People in Jakarta need faster mobility to go. This research is trying to make a system for public transport without any delay and hard to use it. This problem can be solved by building a new system. This system required e-wallet for payment in public transportation. This E-Wallet will search the possible route from the nearest location to the destination — only the public transport where there is a station that can use it. By using QR-Code generated by e-wallet on the mobile phone, people can scan it directly to a machine located in the station. This method will make a transaction faster than ever. Moreover, people can enjoy another feature like cashback and redeem the prize by a point system. In this era, e-commerce is dominating the market for purchasing something. This is also the attraction of the system. This system is also required excellent facilities from the government so that people can enjoy it.

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Observation of topological polaritons and photonic magic angles in twisted van der Waals bi-layers

arXiv

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arXiv 2020年

作者： Alù, Andrea Krasnok, Alex Dai, Zhigao Wu, Jing Qiu, Cheng-Wei Wu, Yingjie Bao, Qiaoliang Si, Guangyuan Ou, Qingdong Hu, Guangwei Mazor, Yarden Zhang, Qing Department of Electrical and Computer Engineering National University of Singapore Singapore Singapore Photonics Initiative Advanced Science Research Center City University of New York New YorkNY United States Monash University ClaytonVIC Australia Melbourne Centre for Nanofabrication Victorian Node of the Australian National Fabrication Facility ClaytonVIC Australia Singapore Singapore Faculty of Materials Science and Chemistry China University of Geosciences 388 Lumo Road Wuhan430074 China Department of Electrical and Computer Engineering University of Texas at Austin AustinTX United States Physics Program Graduate Center City University of New York New YorkNY United States

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MetaMOPE: a web service for mobile phase determination and fast chromatography peaks evaluation for metabolomics

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Bioinformatics Advances 2023年第1期3卷

作者： Tsai, Dong-Ming Chang, Ching-Yao Lin, Shih-Ming Kuo, Tien-Chueh Wang, San-Yuan Chen, Guan-Yuan Kuo, Ching-Hua Tseng, Yufeng Jane Graduate Institute of Biomedical Electronics and Bioinformatics National Taiwan University Taipei 106216 Taiwan The Metabolomics Core Laboratory Centers of Genomic and Precision Medicine National Taiwan University Taipei 100225 Taiwan Department of Computer Science and Information Engineering National Taiwan University Taipei 106216 Taiwan Master Program for Clinical Pharmacogenomics and Pharmacoproteomics School of Pharmacy Taipei Medical University Taipei 110301 Taiwan Forensic Medicine College of Medicine National Taiwan University Taipei 100225 Taiwan School of Pharmacy College of Medicine National Taiwan University Taipei 100225 Taiwan

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Phase transitions in the frustrated Ising ladder with stoquastic and nonstoquastic catalysts

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Physical Review Research 2021年第4期3卷 043013-043013页

作者： Kabuki Takada Shigetoshi Sota Seiji Yunoki Bibek Pokharel Hidetoshi Nishimori Daniel A. Lidar Department of Physics Tokyo Institute of Technology Yokohama Kanagawa 226-8503 Japan Computational Materials Science Research Team RIKEN Center for Computational Science (R-CCS) Kobe Hyogo 650-0047 Japan Computational Condensed Matter Physics Laboratory RIKEN Cluster for Pioneering Research (CPR) Wako Saitama 351-0198 Japan Computational Quantum Matter Research Team RIKEN Center for Emergent Matter Science (CEMS) Wako Saitama 351-0198 Japan Department of Physics University of Southern California Los Angeles California 90089 USA Center for Quantum Information Science & Technology University of Southern California Los Angeles California 90089 USA Institute of Innovative Research Tokyo Institute of Technology Yokohama Kanagawa 226-8503 Japan Graduate School of Information Sciences Tohoku University Sendai Miyagi 980-8579 Japan RIKEN Interdisciplinary Theoretical and Mathematical Sciences Program (iTHEMS) Wako Saitama 351-0198 Japan Department of Electrical & Computer Engineering and Department of Chemistry University of Southern California Los Angeles California 90089 USA

The role of nonstoquasticity in the field of quantum annealing and adiabatic quantum computing is an actively debated topic. We study a strongly-frustrated quasi-one-dimensional quantum Ising model on a two-leg ladder to elucidate how a first-order phase transition with a topological origin is affected by interactions of the ±XX-type. Such interactions are sometimes known as stoquastic (negative sign) and nonstoquastic (positive sign) “catalysts”. Carrying out a symmetry-preserving real-space renormalization group analysis and extensive density-matrix renormalization group computations, we show that the phase diagrams obtained by these two methods are in qualitative agreement with each other and reveal that the first-order quantum phase transition of a topological nature remains stable against the introduction of both XX-type catalysts. This is the first study of the effects of nonstoquasticity on a first-order phase transition between topologically distinct phases. Our results indicate that nonstoquastic catalysts are generally insufficient for removing topological obstacles in quantum annealing and adiabatic quantum computing.

关键词： Adiabatic quantum optimization Phase transitions by order Quantum spin models Density matrix renormalization group Renormalization group

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