Assessment of the potential and application of Be12O12 nanocage for removal of ciprofloxacin from water employing density functional theory by Qaisar Ali, Abdul Shakoor, Gul Rehman, Munir Ur Rehman, Momin Khan, Rashid Ahmad, Iftikhar Ahmad, Abdullah F. AlAsmari, Fawaz Alasmari

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Fast simulation of the influence of a refractive free-form microstructure on a wave field based on scalar diffraction theory by Thiemicke Fabian, El-Bashar Ramy, Hameed Mohamed F.M., Agour Mostafa, Obayya Salah S.A., Bergmann Ralf B., Falldorf Claas

“…The main advantage of this method is its reduced complexity, which leads to a remarkable reduction in computation time by more than two orders of magnitude compared to finite-difference time-domain (FDTD) methods. …”
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Theory and Numerical Analysis of Extreme Learning Machine and Its Application for Different Degrees of Defect Recognition of Hoisting Wire Rope by Zhike Zhao, Xiaoguang Zhang

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Study of complex dynamics and novel soliton solutions of the Kraenkel-Manna-Merle model describing saturated ferromagnetic materials by Adil Jhangeer, Ziyad A. Alhussain, Nauman Raza, Muhammad Farman

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Prediction of Pt, Ir, Ru, and Rh complexes light absorption in the therapeutic window for phototherapy using machine learning by V. Vigna, T. F. G. G. Cova, A. A. C. C. Pais, E. Sicilia

“…Traditional prediction methods for these light absorption properties, including Time-Dependent Density Functional Theory (TDDFT), are often computationally intensive and time-consuming. …”
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Revisiting Online Algorithms: A Survey of Set Cover Solutions Beyond Competitive Analysis by Christine Markarian, Claude Fachkha, Noura Yassine

“…Online algorithms are crucial for real-time decision-making and adaptability across diverse fields, such as operations research, computer science, and combinatorics. These algorithms handle data incrementally and make decisions without prior knowledge of future inputs, thereby effectively addressing complex challenges. …”
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Description of Weak Halogen Bonding Using Various Levels of Symmetry-Adapted Perturbation Theory Combined with Effective Core Potentials by Piotr Matczak

“…This comparison reveals that high-order SAPT2+(3) method and the much less computationally demanding SAPT(DFT) method perform very well in describing Eint of the complexes. …”
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Some Complex Picture Fuzzy Aggregation Operators Based on Frank t-norm and t-conorm: An Application to Multi-Attribute Decision-Making (MADM) Process by Faisal Mehmood, Heng Liu

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A Novel Fluorescent Chemosensor Based on Rhodamine Schiff Base: Synthesis, Photophysical, Computational and Bioimaging Application in Live Cells by Oyedoyin Aduroja, Roosevelt Shaw, Sisay Uota, Isaac Abiye, James Wachira, Fasil Abebe

“…The compound <b>RdN</b> was further studied with the help of computational methods such as the Density Functional Theory (DFT) method and time-dependent density theory (TD-DFT) calculations to study the binding interactions and properties of the molecule. …”
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User-Centric Radio Access Technology Selection: A Survey of Game Theory Models and Multi-Agent Learning Algorithms by Giuseppe Caso, Ozgu Alay, Guido Carlo Ferrante, Luca De Nardis, Maria-Gabriella Di Benedetto, Anna Brunstrom

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Evaluating the role of protection motivation theory in information security policy compliance: Insights from the banking sector using PLS-SEM approach by Ebrahim Mohammed Alrawhani, Awanis Romli, Mohammed A. Al-Sharafi

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Computational Modeling and Theoretical Calculations on the Interactions between Spermidine and Functional Monomer (Methacrylic Acid) in a Molecularly Imprinted Polymer by Yujie Huang, Qiujin Zhu

“…We employed density functional theory (DFT) to compute geometry, single-point energy, and binding energy (ΔE) of an MIP system, where spermidine (SPD) and methacrylic acid (MAA) were selected as template and functional monomer, respectively. …”
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HDBind: encoding of molecular structure with hyperdimensional binary representations by Derek Jones, Xiaohua Zhang, Brian J. Bennion, Sumukh Pinge, Weihong Xu, Jaeyoung Kang, Behnam Khaleghi, Niema Moshiri, Jonathan E. Allen, Tajana S. Rosing

“…Abstract Traditional methods for identifying “hit” molecules from a large collection of potential drug-like candidates rely on biophysical theory to compute approximations to the Gibbs free energy of the binding interaction between the drug and its protein target. …”
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Improved modified gradient-based iterative algorithm and its relaxed version for the complex conjugate and transpose Sylvester matrix equations by Huang Zhengge, Cui Jingjing

“…In this article, we present two new algorithms referred to as the improved modified gradient-based iterative (IMGI) algorithm and its relaxed version (IMRGI) for solving the complex conjugate and transpose (CCT) Sylvester matrix equations, which often arise from control theory, system theory, and so forth. …”
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An Improved Distributed Multi-User Cooperative Spectrum Sensing Method Based on DCS by Jianwu Zhang, Xiaoyan Chen, Xiaorong Xu

“…However, it increases computational complexity in the process of signal reconstruction. …”
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Finite-Time Cluster Synchronization of Fractional-Order Complex-Valued Neural Networks Based on Memristor with Optimized Control Parameters by Qi Chang, Rui Wang, Yongqing Yang

“…The finite-time cluster synchronization (FTCS) of fractional-order complex-valued (FOCV) neural network has attracted wide attention. …”
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Improving electric vehicle charging forecasting: A hybrid deep learning approach for probabilistic predictions by Ali Jamali Jahromi, Mohammad Reza Masoudi, Mohammad Mohammadi, Shahabodin Afrasiabi

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Strategic Traffic Management in Mixed Traffic Road Networks: A Methodological Approach Integrating Game Theory, Bilevel Optimization, and C-ITS by Areti Kotsi, Ioannis Politis, Evangelos Mitsakis

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Comprehensive analysis of the electronic, thermodynamic, and spectroscopic properties of a Cu(II)-based complex with 1,10-phenanthroline and L-glutamine by Marinaldo V. Souza Junior, João G. Oliveira Neto, Walajhone O. Pereira, Jéssica A.O. Rodrigues, Jailton R. Viana, Aramys S. Reis, Mateus R. Lage, Guilherme G.C. Carvalho, Cláudia O. Pessoa, Adenilson O. dos Santos, Francisco F. de Sousa

“…The theoretical predictions provided a deeper understanding of the frontier molecular orbitals, chemical reactivity indices, dipole moment, and electrostatic potential maps. A computational analysis of the intermolecular interactions using Hirshfeld surfaces was also performed, which demonstrated that the H⋯O/O⋯H and H⋯H interactions are mainly responsible for the structural and thermal stability of the complex. …”
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Windblown sand control decision-making support system based on parallel intelligence: Taklimakan desert highway and its sand-breaking system by Fangle CHANG, Mengzhen KANG, Xiujuan WANG, Jiaqiang LEI, Fei-Yue WANG

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