Application of Relational Databases to the Acceleration of Ray Tracing in High Frequency Asymptotic Techniques by David Cabornero, Lorena Lozano, Ivan Gonzalez, Alvaro Somolinos, Felipe Catedra

“…A new ray-tracing acceleration technique is presented for electromagnetic simulation problems using the Uniform Theory of Diffraction and meshes of planar facets. …”
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Enhancing early detection and treatment of psychosis in Germany: a protocol for the health economic evaluation of an artificial intelligence-guided complex intervention by Alexandra Philipsen, Thomas Frodl, Georg Schomerus, Michael Bauer, Martin Lambert, Jürgen Gallinat, Lisa Tlach, Frank Jessen, Gerd Schulte-Körne, Uwe Herwig, Andreas J Fallgatter, Andrea Pfennig, Tobias Banaschewski, Christiane Woopen, Michael Huss, Tobias Renner, Hans-Henning Flechtner, Christoph Correll, Marcel Romanos, Juliane Köberlein-Neu, Johann Steiner, Natalia Wege, Andreas Heinz, Irene Neuner, Stefan Borgwardt, Eva Meisenzahl, Nikolaos Koutsouleris, Alkomiet Hasan, Sebastian Walther, Georg Juckel, Andreas Meyer-Lindenberg, Barbara Hutz, Stephan Bender, Stefanie J Schmidt, Joseph Kambeitz, Maximilian Schneider, Trutz Bommhardt, Jens Peschl, Frauke Schultze-Lutter, Jule Sauer, Jannike Zimmermann, Sarah Shishechian, Jenny Spahlholz, Christian Sander, Barbara Kranenburg, Thomas Jaschinski-Weber, Marcus Hoppe, Jürgen Medenbach, Sonja Botterweck, Martina Deiß, Britt Kilian, Katrin Knopp, Ursula Leyens, Inga Meyhöfer, Viviane Wolf, Milenko Kujovic, Devin Mollamehmetoglu, Naweed Osman, Christian Theisen, Marius Wrulich, Volker Reissner, Miriam Frings, Marija Nikolic, Santiago Cabrera, Andreas Stöhr, Amke Smid, Sarah Brauckmann, Nadja Drusenheimer, Daniela Lieberz, Christian Calles, Andreas Hippe, Alessa Grand, Puyan Heindl, Lenka Krcmar, Natalie Matti, Lisa-Maria Neuner, Caroline Plett, Anne Ruef, Jana von Trott zu Solz, Clara Weyer, Christopher Eberle, Richard Gaus, Selina Mandl, Lana Kambeitz-Ilankovic, Amelie Conrad, Marleen Gersie, Paula Mengelkamp Vera Lennartz, Sophie Müller, Marlene Rosen, Susanne Inanloo-Shavikloo, Alexia Synetou, Julian Wenzel, Elena Borovik, Johanna Loy, Johanna Kim, Heidrun Lioba Wunram, Janina Michel, Hanna Schwinde, Henrik Rohner, Sven Wasserthal, Chiara van der Coelen, Jule Daniels, Luisa Jung, Martin Gladbach, Maximilian Huppertz, Ulf Thiemann, Sandra Hackler, Darja Gesell, Nele Bijlard, Udo Dannlowski, Antonia Böthig, Janik Goltermann, Dominik Grotegerd, Georg Romer, Linda Meredith Bonnekoh, Robert Göder, Ellen Quant, Fanny Wiesner, Manuel Munz, Mareike Euent, Jan-Henrik Rieck, Christina Andreou, Marco Heide, Sofia Eickhoff, Petra Reiring, Kris Sievert, Leon Franzen, Oliver Soyka, Michael Lipp, Mareike Kallmeyer, Mara Johannsen, Sarah Kittel-Schneider, Matthias Nieberler, Georg Ziegler, Catherina Klüpfel, Melanie Schroll, Larissa Schulz, Christiane Rieß, Hans-Christoph Aster, Julia Geissler, Florian Schlagenhauf, Niuscha Ramona Arlt, Zahra Assadi, Esther Quinlivan, Teresa Katthagen, Jakob Kaminski, Paul Jasper Wirsching, Peter J Uhlhaas, Lilith Becher, Philine Köln, Anastassia von Lingen, Clara Naujoks, Fabiola Henrike Heuer, Antonia Wasserscheid, Enise Irem Incesoy, Sophia Götze, Claudia Rehe, Anne Strehlow, Sandra Weigand, Miriam Wiegel, Stefanie Seidenbecher, Rico Krämer, Anett Riedel, Jessica Kesik, Aila Katharina Rau, Antonia Ritters, Oliver Dohrn, Gereon Schnellbächer, Knut Hoffmann, Vera-Estelle Daly, Rena Sophie Birner, Emese Bori-Kovács, Lisann Cöppicus, Carla Lenders, Katharina Meister, Daniela Alejandra Guzmán Vega, Johannes Gabriel, Abdul Rahman Ghanam, Christopher Gramsch, Thomas Jedamzik, Marc Wahl, Dusan Hirjak, Désirée Fink, Camila Malkewitz, Sandra Franco Palacio, Emanuel Schwarz, Sebastian Volkmer, Jonas Daub, Kathrin Becker, Alexander Häge, Paul Palm, Medea Eleftheriadis, Bettina Klos, Christoph Gerth, Julia Boettcher, Saskia Neumann, Florianne Sammoum, Laura Seefeldt, Niklas Feil, Stefan Klingberg, Magdalena Haupt, Svenja Unsöld, Anne Rau, Laura Krüger, Patrick Steinwand, Gottfried Maria Barth, Janina Fausel, Theresa Huber, Elena Müller, Melinda Mroß, Eusebia Schäfer, Daniela Mier, Sarah Stumpp, Ludwig Bley, Peter Diedrich, Alexander Wolber, María Zoll, Simon Senner, Anja Christine Rohenkohl, Alicia Balzar, Schirin Gellert, Pia Sowada, Sarah Hohmann, Marie Mey, Ruth Pöll, Eva Mennigen, Ilka Boehm, Kyra Bröckel-Bundt, Mareen Gliemann, Cathleen Köpke, Birgit Maicher, Christina Berndt, Fabian Huth, Andreas Bechdolf, Karolina Leopold, Dilek Genccagj, Laura van Hardenberg, Laura Holzner, Sibel Kanlidere, Nora Schumacher, Olga Shmuilovich, Anja Baumgartner, Sophie-Kathrin Greiner, Noa Stella Niemann, Sarah Riedlinger, Anna Martina Strasser, Thomas Görlitz, Wolfgang Strube

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The emotional cost of AI chatbots in education: Who benefits and who struggles? by Justin W. Carter, Justin T. Scott, John D. Barrett

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Synthesis, X-Ray Structure, Hirshfeld Surface Analysis, DFT Calculations, and Molecular Docking Studies of Nickel(II) Complex with Thiosemicarbazone Derivative by Uwaisulqarni M. Osman, Sharmili Silvarajoo, Muhamad Fairus Noor Hassim, Suhana Arshad, Ainizatul Husna Anizaim, Fazira Ilyana Abdul Razak

“…This article presents both experimental and computational study of a new Ni(II) complex, namely, bis{2-(2-trifluoromethylbenzylidene)hydrazine-1-carbothioamido-κ2N2, S}nickel(II) (abbreviate as NiL2). …”
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Embracing open innovation in hospitality management: Leveraging AI-driven dynamic scheduling systems for complex resource optimization and enhanced guest satisfaction by Rapeepan Pitakaso, Paulina Golinska-Dawson, Peerawat Luesak, Thanatkij Srichok, Surajet Khonjun

“…In response, this study develops and evaluates a novel platform for dynamic room cleaning and resource allocation, guided by open innovation principles and complexity theory. Specifically, we propose the Artificial Multiple Intelligence System (AMIS), which employs heuristic-based optimization to coordinate real-time task assignments and ensure equitable workloads for housekeeping staff. …”
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Extensive electronic investigation of BMBH structure and adsorption locator on graphene with molecular dynamics of human serum albumin interaction by Walaa S. S. Alblozy, Doaa S. El Sayed, Refaat M. Mahfouz

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Predicting emotional responses in interactive art using Random Forests: a model grounded in enactive aesthetics by Xiaowei Chen, Xiaowei Chen, Zainuddin Ibrahim, Azlan Abdul Aziz

“…However, these emotional responses’ inherently dynamic, subjective, and often pre-reflective nature poses significant challenges to their systematic prediction and computational modeling.MethodsTo address these challenges, the present study introduces an interpretable machine learning framework grounded in the Random Forest (RF) algorithm, which provides a balanced trade-off between predictive performance and model transparency, thereby aligning with the needs of theory-driven emotion research. …”
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Prioritizing image processing and big data analytics factors for software development using DEMATEL-choquet method in bipolar complex fuzzy context by Ruimin Ma

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Revolutionizing pharmacology: AI-powered approaches in molecular modeling and ADMET prediction by Irfan Pathan, Arif Raza, Adarsh Sahu, Mohit Joshi, Yamini Sahu, Yash Patil, Mohammad Adnan Raza, Ajazuddin

“…It outlines the evolution of computational chemistry and the transformative role of AI in interpreting complex molecular data, automating feature extraction, and improving decision-making across the drug development pipeline. …”
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Mutual human-robot understanding for a robot-enhanced society: the crucial development of shared embodied cognition by Giulio Sandini, Alessandra Sciutti, Pietro Morasso

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[3 + 2] versus [2 + 2] Addition: A Density Functional Theory Study on the Mechanistic Aspects of Transition Metal-Assisted Formation of 1,2-Dinitrosoalkanes by Ernest Opoku, Richard Tia, Evans Adei

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Prioritized aggregation operators for Schweizer-Sklar multi-attribute decision-making for complex spherical fuzzy information in mobile e-tourism applications by Khawlah Alhulwah, Muhammad Azeem, Mehwish Sarfraz, Nasreen Almohanna, Ali Ahmad

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In-silico study of lanthanide-based nanoparticles for dual-modal photoacoustic and MRI theranostics by Farid Alidoust Aghdam, Ali Rostami

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The Effect of Central Metal Ions (Dy, Er, Ni, and V) on the Structural and HSA-Binding Properties of 2-Hydroxy-3-methoxybenzaldehyde Semicarbazone Complexes by Violeta Jevtovic, Jelena M. Živković, Aleksandra A. Rakić, Aljazi Abdullah Alrashidi, Maha Awjan Alreshidi, Elham A. Alzahrani, Odeh A. O. Alshammari, Mostafa Aly Hussien, Dušan Dimić

“…The different contributions of the most numerous contacts were explained by examining additional ligands in the structure. Density functional theory (DFT) optimizations were performed for the selected complexes, and the applicability of different computational methods was discussed. …”
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Targeted Drug Delivery of Anticancer Agents Using C₅N₂ Substrate: Insights from Density Functional Theory by Syeda Huda Mehdi Zaidi, Muhammad Ajmal, Muhammad Ali Hashmi, Ahmed Lakhani

“…This study employs a C₅N₂-based targeted drug carrier to study the delivery mechanism of anticancer drugs, particularly cisplatin, carmustine, and mechlorethamine, using density functional theory (DFT). The geometries of the drugs, the C₅N₂ substrate, and the drug@C₅N₂ complexes were optimized at the PBE0-D3BJ/def2SVP level of theory. …”
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Effect of Surface Anions Adsorbed by Rutile TiO₂ (001) on Photocatalytic Nitrogen Reduction Reaction: A Density Functional Theory Calculation by Xiaoyu Jiang, Mengyuan Gao, Hongda Li

“…This work utilizes density functional theory (DFT) computations to examine the electronic and optical characteristics of the TiO₂ (001) surface under various anion adsorptions in order to clarify their influence on the photocatalytic NRR of TiO₂. …”
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Computational analysis of zoanthamine alkaloids from Zoanthus sp. as potential DKK1 and GSK-3β inhibitors for osteoporosis therapy via Wnt signaling by Ngoc-Thac Pham, Huong-Giang Le, Bo-Rong Peng, Lo-Yun Chen, Mohamed El-Shazly, Jui-Hsin Su, Mei-Hsien Lee, Kuei-Hung Lai

“…This study employed an integrated computational approach—combining molecular docking, extensive molecular dynamics (MD) simulations, and density functional theory (DFT) calculations—to assess the inhibitory potential of 69 zoanthamine-type alkaloids against DKK1 and GSK-3β. …”
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SPIRIT: Structural Entropy Guided Prefix Tuning for Hierarchical Text Classification by He Zhu, Jinxiang Xia, Ruomei Liu, Bowen Deng

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Many-Body Effects in a Composite Bosonic Josephson Junction by Sudip Kumar Haldar, Anal Bhowmik

“…We focused on the many-body facets of quantum dynamics and investigate how the complex structure of the junction influences the tunneling. …”
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Repurposing FDA-Approved Agents to Develop a Prototype <i>Helicobacter pylori</i> Shikimate Kinase (HPSK) Inhibitor: A Computational Approach Using Virtual Screening, MM-GBSA Calcu... by Abdulaziz H. Al Khzem, Tagyedeen H. Shoaib, Rua M. Mukhtar, Mansour S. Alturki, Mohamed S. Gomaa, Dania Hussein, Nada Tawfeeq, Mohsina Bano, Mohammad Sarafroz, Raghad Alzahrani, Hanin Alghamdi, Thankhoe A. Rants’o

“…In this study, we employed computer-aided drug design (CADD) methodologies, including molecular docking, Molecular Mechanics-Generalized Born Surface Area (MM-GBSA) analysis, molecular dynamics (MD) simulations, and Density Functional Theory (DFT) calculations, to explore the potential repurposing of FDA-approved agents as inhibitors of <i>Helicobacter pylori</i> shikimate kinase (HpSK). …”
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