JournalTOCs

Advanced Theory and Simulations
Number of Followers: 4

Hybrid journal (It can contain Open Access articles)
ISSN (Online) 2513-0390
Published by John Wiley and Sons

[1764 journals]

Issue Information (Adv. Theory Simul. 6/2025)
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  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202570012
  Issue No: Vol. 8, No. 6 (2025)
Analytical Description of Nanowires: Morphing Wurtzite Structure Cross
Sections to Match Arbitrary Convex Shapes (Adv. Theory Simul. 6/2025)
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  Authors: Dirk König; Sean C. Smith
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202570011
  Issue No: Vol. 8, No. 6 (2025)
Rolling Bearing Fault Diagnosis Based on 2D CNN and Hybrid Kernel Fuzzy
SVM
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  Authors: Qingbao Zhang; Zhe Ju
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202400793
  Issue No: Vol. 8, No. 6 (2025)
Phononic Crystal Locally‐Resonant Cavity as a Gas Sensor for Detecting
H2S${\rm H}_{\mathbf {2}}{\rm S}$ at Room Temperature
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  Authors: Hodjat Ahmadi; Farid Alidoust, Ali Rostami, Mahboubeh Dolatyari
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401116
  Issue No: Vol. 8, No. 6 (2025)
Magnetoelectric Effect in Piezopolymer Composites with a
Weakly‐Magnetostrictive Filler: The Contribution of Torsional Stresses
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  Authors: Oleg V. Stolbov; Yuriy L. Raikher
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401318
  Issue No: Vol. 8, No. 6 (2025)
Theoretical Exploration of Bioconvection Magneto Flow of Micropolar
Nanomaterial Off‐Centered Stagnation Point Framed by Rotating Disk
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  Authors: Nehad Ali Shah; Farhan Ali, M. Faizan, S. S. Zafar
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401345
  Issue No: Vol. 8, No. 6 (2025)
SyMO: A Hybrid Approach for Multi‐Objective Optimization of Crystal
Growth Processes
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  Authors: Milena Petkovic; Natasha Dropka
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401361
  Issue No: Vol. 8, No. 6 (2025)
A Theoretical Investigation on Coupled Mass‐charge Transport in a
Binary Fluid
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  Authors: Antonio Cappai; Daniele Loi, Claudio Melis, Luciano Colombo
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401371
  Issue No: Vol. 8, No. 6 (2025)
Lead‐Free Na2ZrTeO6 Double Perovskite: A Promising Candidate for
High‐Temperature and Optoelectronic Applications
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  Authors: E. Deligoz; D. Rached, H. Ozisik, M. Caid, Y. Rached
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401421
  Issue No: Vol. 8, No. 6 (2025)
Research on Photovoltaic Power Prediction Method Based on Dynamic Similar
Selection and Bidirectional Gated Recurrent Unit
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  Authors: Qinghong Wang; Longhao Li
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401423
  Issue No: Vol. 8, No. 6 (2025)
Numerical Approximation of the Fractional Model of Atmospheric Dynamics of
CO2 Using the Gegenbauer Wavelet Collocation Method
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  Authors: Manohara G; Kumbinarasaiah S
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401463
  Issue No: Vol. 8, No. 6 (2025)
Performance Enhancement of NH3(CH2)4NH3CoCl4‐Based Perovskite Solar Cell
via DFT‐Guided SCAPS‐1D Simulations
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  Authors: Sana Mazouar; Ilyas Chabri, Hafida Ziouani, Abdelilah Taoufik, El Mostafa Khechoubi, Mahmoud Ettakni
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401504
  Issue No: Vol. 8, No. 6 (2025)
Analysing the Effect of MHD Nanoparticles Flow in Blood Plasma over a
Stretching Sheet by Taylor Wavelt Operational Matrix Method
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  Authors: Prithvi S; Patil Mallikarjun B, Basma Souayeh
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401548
  Issue No: Vol. 8, No. 6 (2025)
Entropy Generation Optimization for Casson Hybrid Nanofluid Flow Along a
Curved Surface With Bioconvection Mechanism and Exothermic/Endothermic
Catalytic Reaction
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  Authors: Anup Kumar; Bhupendra K. Sharma, Madhu Sharma, Bandar Almohsen, Ioannis E. Sarris
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401554
  Issue No: Vol. 8, No. 6 (2025)
A Comprehensive Investigation on Temperature‐Dependent Small‐Signal
Characterization and Modeling of GaN HEMT on Si Substrate
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  Authors: Anwar Jarndal
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401555
  Issue No: Vol. 8, No. 6 (2025)
Analytical Modeling of Oppositely Doped Core‐Shell Junctionless Nanowire
Transistor Considering Fringe Capacitance and Dual Material Gate
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  Authors: Bharti; Poornima Mittal
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401148
  Issue No: Vol. 8, No. 6 (2025)
Numerical Analysis and Artificial Neural Networks for Solving Nonlinear
Tuberculosis Model in SEITR Framework
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  Authors: N. Jeeva; K. M. Dharmalingam
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401287
  Issue No: Vol. 8, No. 6 (2025)
Reconfigurable Metasurface for Enhanced Imaging and Image Denoising
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  Authors: Sandeep Kumar Chamoli
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202400747
  Issue No: Vol. 8, No. 6 (2025)
Analytical Description of Nanowires: Morphing Wurtzite Structure Cross
Sections to Match Arbitrary Convex Shapes
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  Authors: Dirk König; Sean C. Smith
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202400951
  Issue No: Vol. 8, No. 6 (2025)
A Meta‐Model for The Design of Soft Pneumatic Actuators Using Neural
Networks and Finite Element Analysis
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  Authors: Philip Frederik Ligthart; Martin Philip Venter
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401014
  Issue No: Vol. 8, No. 6 (2025)
A Theoretical Investigation on Pt(II) Complexes Consisting of
4‐phenyl‐1,2,3‐triazole With Variant Linker Groups: Electronic
Structures, Spectral Characters and Luminescence Mechanism
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  Authors: Dongting Huang; Pingjun Zhang, Jiannan Qin, Jingjie Tang, Fei Meng
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401146
  Issue No: Vol. 8, No. 6 (2025)
A Dual Neural Network Approach with PID Control and Reference Tracking to
Enhance Oil Recovery
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  Authors: Keyvan Ahangar Darabi; Majid Ahmadlouydarab
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401168
  Issue No: Vol. 8, No. 6 (2025)
Elucidating the Oxidation Process and Enhanced Stability of Black
Phosphorus through NTCDA Passivation: A Molecular Dynamics Study
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  Authors: Youness Kaddar; Zouhir Mansouri, Abdelilah Benyoussef, Abdelouahed El Fatimy, Omar Mounkachi
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401205
  Issue No: Vol. 8, No. 6 (2025)
A Variability‐Aware Behavioral Model of Monolayer MoS2 RRAM for
Tunable Stochastic Sources
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  Authors: Lavanya Peddaboina; Kartik Agrawal, Piyush Kumar, Girija Hegde, Oves Badami, Shubhadeep Bhattacharjee
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401235
  Issue No: Vol. 8, No. 6 (2025)
Influence of Alloying Additions (Nb, Cr, V, Cu) on the Mechanical Behavior
of γ$\gamma$‐TiAl
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  Authors: Mahfooz Alam; Appala Naidu Gandi
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401341
  Issue No: Vol. 8, No. 6 (2025)
Computational Design of 3D Porous Aluminum Nitride Assembled From
AlN‐Biphenylene Nanoribbons for Reversible Hydrogen Storage
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  Authors: Ahmed H. Ati; Jiewei Cheng, Peng‐Hu Du, Mohammed M. Obeid, Qiang Sun
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401402
  Issue No: Vol. 8, No. 6 (2025)
Recommendation System to Predict the d‐band Center of Core‐Shell
Bimetallic Nanoparticles Catalysts
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  Authors: Sakshi Agarwal; Abhishek Singh
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401460
  Issue No: Vol. 8, No. 6 (2025)
Research on the Mechanism of Diamond Heteroepitaxial Growth Based on
First‐principles Calculations
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  Authors: Yanyan Zhang; Yinghao Wang, Jie Shen, Dongliang Zhang, Zhiwen Gan, Bo Yang, Zhiyin Gan, Fan Wang
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202500070
  Issue No: Vol. 8, No. 6 (2025)
Modeling Metal‐Halide Perovskite Thin Film: Deterministic Voronoi
Diagrams Based on Stochastic Correlated Nuclei
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  Authors: Zhiyun Zeng; Jintian Pan, Quanqi Cheng, Yang Liu, Qing Song, Yue Wang, Zhen Yang, Deli Li, Yonghua Chen
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202500115
  Issue No: Vol. 8, No. 6 (2025)
Electro‐Thermal Response of Thin Film Heaters Based on Embedded
Periodic Metallic Mesh
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  Authors: Dimitrios Charaklias; Dayuan Qiang, Robert Dorey, Iman Mohagheghian
  Abstract: Advanced Theory and Simulations, Volume 8, Issue 6, June 2025.
  PubDate: 2025-06-09T02:31:03-07:00
  DOI: 10.1002/adts.202401225
  Issue No: Vol. 8, No. 6 (2025)
Effect of Co and Mn Doping on the Electronic and Magnetic Properties of
XC₂ (X = Hf, Zr) MXene Monolayers: A First‐Principles Study
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  Authors: Emre Bölen; Meryem Derya Alyörük
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-06-14T02:38:06-07:00
  DOI: 10.1002/adts.202500145
Guesstimation of Molecular Ensemble Electrostatics Properties Through
SCERPA‐DFT Calculation: Molecular Field‐Coupled Nanocomputing as a
Case Study
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  Authors: Yuri Ardesi; Fabrizio Mo, Marco Vacca, Gianluca Piccinini, Mariagrazia Graziano
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-06-13T07:15:49-07:00
  DOI: 10.1002/adts.202500812
Performance Analysis of SPR Sensor Based on Tin Di‐selenide, Silicon and
Lead Titanate for Malaria Detection
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  Authors: Shivangani; Anupam Sahu, Dharmendra Kumar, Tanya Tripathi, Sudhanshu Verma, Sudakar Singh Chauhan, Rohit Kumar Tiwari, Sushil Kumar Saroj, Santosh Kumar
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-06-13T06:38:28-07:00
  DOI: 10.1002/adts.202500108
Computational Design and Assessment of Bi‐Heterocyclic Donepezil
Derivatives as Enhanced Acetylcholinesterase Inhibitors
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  Authors: Sunandini Swain; Anik Sen, Atanu K. Metya
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-06-09T07:56:30-07:00
  DOI: 10.1002/adts.202500715
Modelling Insights of Sb2(S,Se)3 Solar Cells Using Triazatruxene Hole
Transport Layers
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  Authors: Valentina Sneha George; Aruna‐Devi Rasu Chettiar, Saravanan Rajendran, Hichem Bencherif, P. Sasikumar, Latha Marasamy
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-06-09T01:29:43-07:00
  DOI: 10.1002/adts.202500487
Role of the Setae in an Ectoparasitic Seal Louse in Reducing Surface Drag:
Numerical Modeling Approach
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  Authors: Anika Preuss; Stanislav N. Gorb, Alexander Kovalev, Alexander E. Filippov
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-06-08T11:50:52-07:00
  DOI: 10.1002/adts.202500429
Machine Learning for Sulfide Stress Cracking Prediction
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  Authors: Xi Wang; Amar Deep Pathak, David Thanoon
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-06-07T08:34:39-07:00
  DOI: 10.1002/adts.202500194
Ultrafast Radiative Recombination Engineering in InGaN/GaN Quantum Wells
through Temperature, Alloy Fraction and Layer's Width Tuning for Photonics
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  Authors: Redouane En‐nadir
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-06-06T10:51:07-07:00
  DOI: 10.1002/adts.202500282
Energy Symmetry Breaking of Dirac and Weyl Fermions in Magnetized Spinning
Conical Geometries
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  Authors: Abdullah Guvendi; Omar Mustafa
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-06-06T10:29:14-07:00
  DOI: 10.1002/adts.202500451
Modeling Electrical Transport in Random Networks Composed of Metal‐Oxide
Nanowires: The Transition from Junction‐Dominated to
Nanowire‐Dominated Regime
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  Authors: Andrea Ponzoni
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-06-05T10:28:12-07:00
  DOI: 10.1002/adts.202500496
A First‐Principles Study of the Energy Level Distributions of Oxygen
Vacancy Defects in Eu‐Doped SrAl2O4
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  Authors: Kenji Hirata; Taiga Eguchi, Yuki Fujio, Kazuya Kikunaga
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-06-04T05:08:29-07:00
  DOI: 10.1002/adts.202500185
Electroosmotic Effects on Peristaltic Transport of Ree‐Eyring Nanofluid
with Double Diffusive Convection in Symmetric Microchannel
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  Authors: Lipiya Vijayan; G. Sucharitha
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  DOI: 10.1002/adts.202500403
Accurate Prediction of Hybrid Nanofluids Viscosity: A Comparison of Soft
Computational Approaches, Empirical, and Theoretical Models
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  Authors: Hossein Ghadery‐Fahliyany; Majid Mohammadi, Mohammad Haji‐Savameri, Saeed Jafari, Mahin Schaffie, Mehrorang Ghaedi, Abdolhossein Hemmati‐Sarapardeh
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-30T10:59:06-07:00
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Significance of Hybrid Nanoparticles and Lorentz Force on the Flow of
Water as Base Fluid: The Case of Modified Buongiorno's Model
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  Authors: Sohaib Abdal; Nehad Ali Shah, Rana Muhammad Zulqarnain, Gulbakht Asghar, Se‐Jin Yook
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  PubDate: 2025-05-29T06:14:08-07:00
  DOI: 10.1002/adts.202500039
Evaluation of Magnetic Hysteresis in Core–Shell Graphene, Graphyne, and
Graphdiyne Nanostructures via Monte Carlo Simulations
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  Authors: Z. Fadil; Chaitany Jayprakash Raorane, Doha Kabouchi, Bousselham Kabouchi, E. Salmani, Fohad Mabood Husain, Seong Cheol Kim
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-29T04:53:30-07:00
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Analyzing the Memory‐Based Transmission Dynamics of Coffee Berry Disease
using Caputo Derivative
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  Authors: R.P. Chauhan
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  DOI: 10.1002/adts.202500373
Selective Capturing and Sensing Performance of M2CO2 (M = Sc, Ti, V)
MXenes Toward Hydrogen Cyanide: A First‐Principles Modeling
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  Authors: Tung Thanh Nguyen; Phat Tan Nguyen, Thong Nguyen‐Minh Le
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  PubDate: 2025-05-28T10:39:38-07:00
  DOI: 10.1002/adts.202500766
A Machine Learning Study to Explore the Structural Basis of
Non‐Conjugated Compounds for Their Optical Activity Features
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  Authors: Abrar U. Hassan; Mamduh J. Aljaafreh
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  PubDate: 2025-05-28T04:00:19-07:00
  DOI: 10.1002/adts.202500140
Hydrocracking of Naphthalene by NiMo3S4/ZSM‐5 Catalyst: A Theoretical
Study on the Reaction Mechanism
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  Authors: Wei Sun; Zichang Zhang, Xiaobing Kong, Chunguang Zhang, Shuanglin Yu, Anyuan Cao, Yuansheng Zhao, Qian Wang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-27T07:13:34-07:00
  DOI: 10.1002/adts.202500209
Effect of Atomic Charges on C2H2/CO2/CH4 Separation Performances of
Covalent‐Organic Framework Adsorbents
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  Authors: Hakan Demir; Ilknur Erucar
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  PubDate: 2025-05-25T11:29:04-07:00
  DOI: 10.1002/adts.202500060
Mathematical Modeling and Numerical Simulations of Influenza Transmission
Dynamics with Structured Infectious Population
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  Authors: Ali Raza; Kashif Ali, Sanaullah Sattar, Sunday Emmanuel Fadugba, N. Jeeva
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-24T10:48:52-07:00
  DOI: 10.1002/adts.202500236
Simulation of Magnetically Targeted Drug Delivery for Two‐Phase Blood
Flow in Stenotic Arteries Under Hall and Ion Influence
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  Authors: Bhupendra K. Sharma; Umesh Khanduri, Chandan Kumawat, Faisal Z. Duraihem
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-24T06:49:32-07:00
  DOI: 10.1002/adts.202500208
Surface Elasticity Based Nonlocal Vibration Analysis of Bidirectional
Functionally Graded Tapered Nanobeam
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  Authors: Chinika Dangi; Susmita Naskar
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  PubDate: 2025-05-24T06:45:35-07:00
  DOI: 10.1002/adts.202401390
Theoretical Sagacity of an Efficient Cu2ZnGeSe4‐Based Thin Film
Solar Cell and Photodetector
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  Authors: Md. Choyon Islam; Md. Alamin Hossain Pappu, Tanvir Ahmed, Jaker Hossain
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-23T10:15:07-07:00
  DOI: 10.1002/adts.202401272
Novel Insights into Strain‐Driven Modifications in Electronic, Optical,
and Charge Distribution Properties of Janus γ‐Si2XY (X/Y = S, Se, Te)
Monolayers
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  Authors: Yesim Mogulkoc; Yasin Zengin, Gozde Enekci
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-23T01:10:16-07:00
  DOI: 10.1002/adts.202500433
Insights into the Interactions Between Monolayer‐Protected Metal
Nanoclusters and Amyloid‐β Fibrils
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  Authors: Soumya Mondal; Tarak Karmakar
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  PubDate: 2025-05-21T08:04:08-07:00
  DOI: 10.1002/adts.202500613
Optimizing Ferroelectricity in 2D Materials: Intralayer and Interlayer
Engineering for Enhanced Photocatalysis
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  Authors: Tianqi Zhang; Zhipeng Yu, Joao Cunha, Najeeb Lashari, Ihsan Çaha, Zhaohui Hou, Hong Yin
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-21T03:30:08-07:00
  DOI: 10.1002/adts.202500284
Maximizing Thermoelectric Performance of Monolayer C3N${\rm C}_3{\rm N}$
Through Strategic Adsorption with Emerging Dumbbell Geometry
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  Authors: Deep Mondal; Supriya Ghosal, Debnarayan Jana
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-20T08:25:21-07:00
  DOI: 10.1002/adts.202500380
Numerical Investigation of Thermal and Mass Diffusion Characteristics in
Chemically Reactive and Magnetite Cu–Al2O3 Water‐Based Hybrid
Nanofluid Flow over Riga Plate
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  Authors: Govind; Pooja Sharma, Ravi Chaudhary, B. K. Sharma, Preeti, Faisal Z. Duraihem
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-20T06:14:56-07:00
  DOI: 10.1002/adts.202500352
Design, Simulation, and Fabrication of High‐Performance Metamaterial
Absorber for EMI Mitigation and THz NDT/Imaging Applications: A
Shape‐Preserved GHz‐to‐THz Transition Approach
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  Authors: Ahmet Teber
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-20T01:45:39-07:00
  DOI: 10.1002/adts.202500329
Accuracy and Precision Limits of Concentration Sensing Using Nanopore
Biosensors
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  Authors: Tuhin Chakrabortty; Manoj M. Varma
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-20T01:45:05-07:00
  DOI: 10.1002/adts.202500305
A Study on Ti‐Nb Alloys with Different Composition for Orthopedic
Application Using MD Simulations and Experiments
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  Authors: Pritam Sadhukhan; Satadipa Banerjee, Hrishikesh Kumar, Barnali Maji, M.M. Ghosh
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-19T05:51:18-07:00
  DOI: 10.1002/adts.202500137
A Novel Electro‐Thermal Coupled State‐of‐Charge Estimation Method
for High‐Rate Lithium‐Ion Battery Applications
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  Authors: Yong Li; Chenyang Wang, Hao Wang, Liye Wang, Chenglin Liao, Jue Yang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-19T05:47:14-07:00
  DOI: 10.1002/adts.202500405
Unraveling the Stability Mechanism of Ru‐Based High‐Entropy Oxides for
Oxygen Evolution Reactions by the First‐Principles Method
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  Authors: Zhizhao Zhang; Jice Li, Hui Liu, Jiaxing Wang, Limin Liang, Ying Li
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-14T07:09:43-07:00
  DOI: 10.1002/adts.202500218
Effect of Metallic and Ceramic Coatings on Structural Behavior of
Heavy‐Duty V8 Engine Using Finite Element Analysis
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  Authors: Hafsa Khan; Fatima Tu Zahra, Syed Masood Arif Bukhari, Naveed Husnain, Muhammad Farooq Zaman, Hassan Raza, Muhammad Tuoqeer Anwar, Ammar Tariq, Farrukh Arsalan Siddiqui, Wasif Ahmed
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-12T07:15:33-07:00
  DOI: 10.1002/adts.202500151
Tailoring the Bandgap of Doped GaS Nanosheets for Optoelectronic,
Spintronic, and Sustainable Energy Applications
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  Authors: Mohamed M. Fadlallah; Safwat Abdel‐Azeim
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-12T07:15:12-07:00
  DOI: 10.1002/adts.202500322
Stepwise Extracting Size Distribution Calculation (SESDC) Method for SAXS
Dilute Polydisperse Spherical Systems
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  Authors: Rongchao Chen; Jianhua He
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-12T07:09:08-07:00
  DOI: 10.1002/adts.202500323
Phosphole Substitution for Enhanced Power Conversion Efficiencies in
Organic Solar Cells
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  Authors: Khushboo Bhardwaj; Pramod K. Verma, Sharma S. R. K. C. Yamijala
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-12T07:05:24-07:00
  DOI: 10.1002/adts.202500421
The Performance of Micro Adiabatic Compressed Air Energy Storage System
with Different Final Pressure of Air Storage Tank
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  Authors: Linhua Zhang; Mengjie Zhang, Yongxing Song, Zhiwen Wang, Yi Ge, Fajie Pu, Ziyuan Geng
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-12T04:10:35-07:00
  DOI: 10.1002/adts.202401298
Reinforcement Learning Approach to Advance Non‐Fullerene
Acceptor‐Based Semi‐Transparent Organic Solar Cell
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  Authors: Erman Cokduygulular; Muhammed Yusuf Aykut, Caglar Cetinkaya
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-12T04:04:09-07:00
  DOI: 10.1002/adts.202500334
Assessment and Comparative Study of Free and Commercial Numerical Software
Packages for Lithium‐Ion Battery Modeling
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  Authors: Kenneth C. Nwanoro; Michael P. Mercer, Harry E. Hoster
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-12T04:02:44-07:00
  DOI: 10.1002/adts.202500302
Predicting Fiber Length Characteristics of Recycled Cotton and Cellulose
Fiber Blends Using Machine Learning Models
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  Authors: Tuser Tirtha Biswas; Michael Will, Nawar Kadi
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-12T04:00:12-07:00
  DOI: 10.1002/adts.202500086
Ab Initio Study of the Electronic, Thermodynamic, Thermoelectric, and
Optical Properties of HfSeS in the (100), (110), and (111)
Crystallographic Directions
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  Authors: S. Dahri; A. Jabar, L. Bahmad, L. B. Drissi, R. Ahl Laamara
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-12T03:43:53-07:00
  DOI: 10.1002/adts.202500072
First‐Principles Screening of 3d‐Transition‐Metal‐Doped Hydrous
Cobalt Phosphate Catalysts for Enhanced Oxygen Evolution Reaction
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  Authors: Meena Rittiruam; Tinnakorn Saelee, Patcharaporn Khajondetchairit, Annop Ektarawong, Björn Alling, Rathawat Daengngern, Piyasan Praserthdam, Supareak Praserthdam
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-11T10:54:16-07:00
  DOI: 10.1002/adts.202500010
Optimal Charging of Lithium‐Ion Batteries: An Electro‐Thermal Model
Approach Using Maximum Possible Optimization
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  Authors: Kamala Kumari Duru; Praneash Venkatachalam, Syed Ali Hussain, Asha Anish Madhavan, Sangaraju Sambasivam, Sujith Kalluri
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-11T10:48:17-07:00
  DOI: 10.1002/adts.202500320
Research on the Law and Mechanism of Condensation in
High‐Temperature Steam Pipes
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  Authors: Jian Kang; Yang Ren, Xiao Guo
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-09T12:40:24-07:00
  DOI: 10.1002/adts.202401382
Enhanced NH₃ and NO₂ Sensing via Pd Decoration on WSeTe Janus
Monolayers: A DFT Investigation
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  Authors: Neetu Raj Bharti; Aditya Kushwaha, Neeraj Goel
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-09T12:39:55-07:00
  DOI: 10.1002/adts.202500569
Prediction of Chemical Reactivity Parameters via Data‐Driven
Approach
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  Authors: Sadhana Barman; Utpal Sarkar
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-09T12:33:52-07:00
  DOI: 10.1002/adts.202401517
Coverage Path Planning Strategy for Deep‐Sea Mining Vehicle Cluster
Under Spatial Constraints
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  Authors: Bowen Xing; Hanzheng Chen, Zhenchong Liu, Xiao Wang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-09T12:30:21-07:00
  DOI: 10.1002/adts.202401001
Accurate and Efficient Behavioral Modeling of GaN HEMTs Using An Optimized
Light Gradient Boosting Machine
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  Authors: Saddam Husain; Mohammad Hashmi, Fadhel M. Ghannouchi
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-07T10:39:41-07:00
  DOI: 10.1002/adts.202401565
Deep Reinforcement Learning Applied to Wake Steering
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  Authors: Carlos Ros Perez; Ankit Tyagi, Abhineet Gupta, Jasper Kreeft, Christian Michler
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-07T10:38:52-07:00
  DOI: 10.1002/adts.202500199
Blue (Buckled) Versus Black (Puckered) Phosphorene Monolayers for Sensing
Biomarkers Associated with Respiratory Diseases – A DFT Study
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  Authors: Surya Nagarathinam Senthilkumar; Senthilkumar Lakshmipathi
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-07T10:35:21-07:00
  DOI: 10.1002/adts.202500061
Single‐Atom Iridium Catalysts on Covalent Frameworks: Structural Tuning
for Superior Oxygen Evolution
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  Authors: Leila Bahri; Fekadu Tsegaye Dajan, Marshet Getaye Sendeku, Karim Harrath
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-07T10:34:55-07:00
  DOI: 10.1002/adts.202500045
Statistical Inference and Simulation for the Maxwell‐Boltzmann
Distribution
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  Authors: Mehdi Shams; Mohammad Ali Mirzaie
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-07T07:00:16-07:00
  DOI: 10.1002/adts.202500148
Bacterial‐Based Molecular Communication: Simulation of a Fixed and
Receding Receiver Scenarios in Varied Viscosities and Environmental
Conditions
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  Authors: Mustafa Ozan Duman; Ibrahim Isik, Esme Isik, Mehmet Bilal Er
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-07T04:26:36-07:00
  DOI: 10.1002/adts.202500173
The Impact of Nb Doping on Structural, Electronic, Magnetic and Optical
Properties of Monolayer Mgo:DFT Study
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  Authors: Markos Meskele Shanko; Berhanu Aymalo Shalisho, Sintayehu Mekonnen Hailemariam
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-07T04:19:41-07:00
  DOI: 10.1002/adts.202500153
Advanced Numerical Modeling and Simulation of Hydrogel‐Based Chemo
Fluidic Oscillator for Enhanced Insulin Delivery System in Diabetes
Treatment: A Comparative and Sensitivity Analysis
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  Authors: Illych Alvarez; Esteban Pulley, Patrick Arévalo, Fernando Tenesaca, Ivy Peña Elaje
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-07T04:14:04-07:00
  DOI: 10.1002/adts.202500196
Principles of Selective Stacking 2D‐SnS on FAPbI3 to Form Directional
Polarity for Low‐Cost Solar Energy Conversion
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  Authors: Jiaming Huang; Qipeng Yao, Linqin Jiang, Bo Wu, Lingyan Lin, Ping Li, Hao Xiong, Heng Jiang, Aijun Yang, Yu Qiu
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-07T04:13:43-07:00
  DOI: 10.1002/adts.202500043
A Molecular Dynamics Investigation into Optimum Membrane‐Cholesterol
Performance Influencing Alzheimer's‐Related Amyloid‐β Conformational
Stability
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  Authors: Heba A. Esawii; Yersultan Arynbek, Noha Mohamed, Grigory Arzumanyan, Hanan A. Mahran
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-07T04:03:27-07:00
  DOI: 10.1002/adts.202500180
Structural and Electronic Properties of Corundum and Monoclinic
(Al1‐xInx)2O3 Alloys by First‐Principles
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  Authors: Xiaoli Liu; Yimin Liao, Justin Goodrich, Hanlin Fu, Nelson Tansu, Chee‐Keong Tan
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2025-05-07T03:59:29-07:00
  DOI: 10.1002/adts.202401407

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