Go to
current issue
-
A First-Principles Study of the Energy Level Distributions of Oxygen Vacancy Defects in Eu-Doped SrAl2O4 Adv. Theory Simul. (IF 2.9) Pub Date : 2025-06-04
Kenji Hirata, Taiga Eguchi, Yuki Fujio, Kazuya Kikunaga -
Electroosmotic Effects on Peristaltic Transport of Ree-Eyring Nanofluid with Double Diffusive Convection in Symmetric Microchannel Adv. Theory Simul. (IF 2.9) Pub Date : 2025-06-03
Lipiya Vijayan, G. Sucharitha -
Accurate Prediction of Hybrid Nanofluids Viscosity: A Comparison of Soft Computational Approaches, Empirical, and Theoretical Models Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-31
Hossein Ghadery‐Fahliyany, Majid Mohammadi, Mohammad Haji‐Savameri, Saeed Jafari, Mahin Schaffie, Mehrorang Ghaedi, Abdolhossein Hemmati‐Sarapardeh -
Analyzing the Memory‐Based Transmission Dynamics of Coffee Berry Disease using Caputo Derivative Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-29
R.P. Chauhan -
Evaluation of Magnetic Hysteresis in Core–Shell Graphene, Graphyne, and Graphdiyne Nanostructures via Monte Carlo Simulations Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-29
Z. Fadil, Chaitany Jayprakash Raorane, Doha Kabouchi, Bousselham Kabouchi, E. Salmani, Fohad Mabood Husain, Seong Cheol Kim -
Significance of Hybrid Nanoparticles and Lorentz Force on the Flow of Water as Base Fluid: The Case of Modified Buongiorno's Model Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-29
Sohaib Abdal, Nehad Ali Shah, Rana Muhammad Zulqarnain, Gulbakht Asghar, Se‐Jin Yook -
Selective Capturing and Sensing Performance of M2CO2 (M = Sc, Ti, V) MXenes Toward Hydrogen Cyanide: A First‐Principles Modeling Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-28
Tung Thanh Nguyen, Phat Tan Nguyen, Thong Nguyen‐Minh Le -
A Machine Learning Study to Explore the Structural Basis of Non‐Conjugated Compounds for Their Optical Activity Features Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-28
Abrar U. Hassan, Mamduh J. Aljaafreh -
Hydrocracking of Naphthalene by NiMo3S4/ZSM‐5 Catalyst: A Theoretical Study on the Reaction Mechanism Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-28
Wei Sun, Zichang Zhang, Xiaobing Kong, Chunguang Zhang, Shuanglin Yu, Anyuan Cao, Yuansheng Zhao, Qian Wang -
An Analysis of Elusive Relationships in Floating Zone Growth Using Data Mining Techniques (Adv. Theory Simul. 5/2025) Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-27
Lucas Vieira, Robert Menzel, Martin Holena, Natasha Dropka -
The Performance of Micro Adiabatic Compressed Air Energy Storage System with Different Final Pressure of Air Storage Tank Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-27
Linhua Zhang, Mengjie Zhang, Yongxing Song, Zhiwen Wang, Yi Ge, Fajie Pu, Ziyuan Geng -
Issue Information (Adv. Theory Simul. 5/2025) Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-27
Click on the article title to read more.
-
Optimal Charging of Lithium‐Ion Batteries: An Electro‐Thermal Model Approach Using Maximum Possible Optimization Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-27
Kamala Kumari Duru, Praneash Venkatachalam, Syed Ali Hussain, Asha Anish Madhavan, Sangaraju Sambasivam, Sujith Kalluri -
First‐Principles Screening of 3d‐Transition‐Metal‐Doped Hydrous Cobalt Phosphate Catalysts for Enhanced Oxygen Evolution Reaction Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-27
Meena Rittiruam, Tinnakorn Saelee, Patcharaporn Khajondetchairit, Annop Ektarawong, Björn Alling, Rathawat Daengngern, Piyasan Praserthdam, Supareak Praserthdam -
Bacterial‐Based Molecular Communication: Simulation of a Fixed and Receding Receiver Scenarios in Varied Viscosities and Environmental Conditions Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-27
Mustafa Ozan Duman, Ibrahim Isik, Esme Isik, Mehmet Bilal Er -
Accurate and Efficient Behavioral Modeling of GaN HEMTs Using An Optimized Light Gradient Boosting Machine Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-27
Saddam Husain, Mohammad Hashmi, Fadhel M. Ghannouchi -
Principles of Selective Stacking 2D‐SnS on FAPbI3 to Form Directional Polarity for Low‐Cost Solar Energy Conversion Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-27
Jiaming Huang, Qipeng Yao, Linqin Jiang, Bo Wu, Lingyan Lin, Ping Li, Hao Xiong, Heng Jiang, Aijun Yang, Yu Qiu -
Effect of Atomic Charges on C2H2/CO2/CH4 Separation Performances of Covalent‐Organic Framework Adsorbents Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-26
Hakan Demir, Ilknur Erucar -
Mathematical Modeling and Numerical Simulations of Influenza Transmission Dynamics with Structured Infectious Population Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-25
Ali Raza, Kashif Ali, Sanaullah Sattar, Sunday Emmanuel Fadugba, N. Jeeva -
Surface Elasticity Based Nonlocal Vibration Analysis of Bidirectional Functionally Graded Tapered Nanobeam Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-24
Chinika Dangi, Susmita Naskar -
Theoretical Sagacity of an Efficient Cu2ZnGeSe4‐Based Thin Film Solar Cell and Photodetector Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-24
Md. Choyon Islam, Md. Alamin Hossain Pappu, Tanvir Ahmed, Jaker Hossain -
Simulation of Magnetically Targeted Drug Delivery for Two‐Phase Blood Flow in Stenotic Arteries Under Hall and Ion Influence Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-24
Bhupendra K. Sharma, Umesh Khanduri, Chandan Kumawat, Faisal Z. Duraihem -
Novel Insights into Strain‐Driven Modifications in Electronic, Optical, and Charge Distribution Properties of Janus γ‐Si2XY (X/Y = S, Se, Te) Monolayers Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-23
Yesim Mogulkoc, Yasin Zengin, Gozde Enekci -
Insights into the Interactions Between Monolayer‐Protected Metal Nanoclusters and Amyloid‐β Fibrils Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-22
Soumya Mondal, Tarak Karmakar -
Numerical Investigation of Thermal and Mass Diffusion Characteristics in Chemically Reactive and Magnetite Cu–Al2O3 Water-Based Hybrid Nanofluid Flow over Riga Plate Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-20
Govind, Pooja Sharma, Ravi Chaudhary, B. K. Sharma, Preeti, Faisal Z. Duraihem -
Optimizing Ferroelectricity in 2D Materials: Intralayer and Interlayer Engineering for Enhanced Photocatalysis Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-21
Tianqi Zhang, Zhipeng Yu, Joao Cunha, Najeeb Lashari, Ihsan Çaha, Zhaohui Hou, Hong Yin -
Maximizing Thermoelectric Performance of Monolayer C3N${\rm C}_3{\rm N}$ Through Strategic Adsorption with Emerging Dumbbell Geometry Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-20
Deep Mondal, Supriya Ghosal, Debnarayan Jana -
-
Accuracy and Precision Limits of Concentration Sensing Using Nanopore Biosensors Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-20
Tuhin Chakrabortty, Manoj M. Varma -
A Novel Electro‐Thermal Coupled State‐of‐Charge Estimation Method for High‐Rate Lithium‐Ion Battery Applications Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-19
Yong Li, Chenyang Wang, Hao Wang, Liye Wang, Chenglin Liao, Jue Yang -
A Study on Ti‐Nb Alloys with Different Composition for Orthopedic Application Using MD Simulations and Experiments Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-19
Pritam Sadhukhan, Satadipa Banerjee, Hrishikesh Kumar, Barnali Maji, M.M. Ghosh -
Unraveling the Stability Mechanism of Ru‐Based High‐Entropy Oxides for Oxygen Evolution Reactions by the First‐Principles Method Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-15
Zhizhao Zhang, Jice Li, Hui Liu, Jiaxing Wang, Limin Liang, Ying Li -
Effect of Metallic and Ceramic Coatings on Structural Behavior of Heavy‐Duty V8 Engine Using Finite Element Analysis Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-13
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 -
Stepwise Extracting Size Distribution Calculation (SESDC) Method for SAXS Dilute Polydisperse Spherical Systems Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-13
Rongchao Chen, Jianhua He -
Phosphole Substitution for Enhanced Power Conversion Efficiencies in Organic Solar Cells Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-13
Khushboo Bhardwaj, Pramod K. Verma, Sharma S. R. K. C. Yamijala -
Tailoring the Bandgap of Doped GaS Nanosheets for Optoelectronic, Spintronic, and Sustainable Energy Applications Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-13
Mohamed M. Fadlallah, Safwat Abdel‐Azeim -
Ab Initio Study of the Electronic, Thermodynamic, Thermoelectric, and Optical Properties of HfSeS in the (100), (110), and (111) Crystallographic Directions Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-12
S. Dahri, A. Jabar, L. Bahmad, L. B. Drissi, R. Ahl Laamara -
Assessment and Comparative Study of Free and Commercial Numerical Software Packages for Lithium‐Ion Battery Modeling Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-12
Kenneth C. Nwanoro, Michael P. Mercer, Harry E. Hoster -
Predicting Fiber Length Characteristics of Recycled Cotton and Cellulose Fiber Blends Using Machine Learning Models Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-12
Tuser Tirtha Biswas, Michael Will, Nawar Kadi -
Reinforcement Learning Approach to Advance Non‐Fullerene Acceptor‐Based Semi‐Transparent Organic Solar Cell Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-12
Erman Cokduygulular, Muhammed Yusuf Aykut, Caglar Cetinkaya -
Coverage Path Planning Strategy for Deep‐Sea Mining Vehicle Cluster Under Spatial Constraints Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-09
Bowen Xing, Hanzheng Chen, Zhenchong Liu, Xiao Wang -
Enhanced NH₃ and NO₂ Sensing via Pd Decoration on WSeTe Janus Monolayers: A DFT Investigation Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-09
Neetu Raj Bharti, Aditya Kushwaha, Neeraj Goel -
Research on the Law and Mechanism of Condensation in High‐Temperature Steam Pipes Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-09
Jian Kang, Yang Ren, Xiao Guo -
Prediction of Chemical Reactivity Parameters via Data‐Driven Approach Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-09
Sadhana Barman, Utpal Sarkar -
Statistical Inference and Simulation for the Maxwell‐Boltzmann Distribution Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-08
Mehdi Shams, Mohammad Ali Mirzaie -
Blue (Buckled) Versus Black (Puckered) Phosphorene Monolayers for Sensing Biomarkers Associated with Respiratory Diseases – A DFT Study Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-07
Surya Nagarathinam Senthilkumar, Senthilkumar Lakshmipathi -
The Impact of Nb Doping on Structural, Electronic, Magnetic and Optical Properties of Monolayer Mgo:DFT Study Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-07
Markos Meskele Shanko, Berhanu Aymalo Shalisho, Sintayehu Mekonnen Hailemariam -
Deep Reinforcement Learning Applied to Wake Steering Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-07
Carlos Ros Perez, Ankit Tyagi, Abhineet Gupta, Jasper Kreeft, Christian Michler -
Single‐Atom Iridium Catalysts on Covalent Frameworks: Structural Tuning for Superior Oxygen Evolution Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-07
Leila Bahri, Fekadu Tsegaye Dajan, Marshet Getaye Sendeku, Karim Harrath -
A Molecular Dynamics Investigation into Optimum Membrane‐Cholesterol Performance Influencing Alzheimer's‐Related Amyloid‐β Conformational Stability Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-07
Heba A. Esawii, Yersultan Arynbek, Noha Mohamed, Grigory Arzumanyan, Hanan A. Mahran -
Structural and Electronic Properties of Corundum and Monoclinic (Al1‐xInx)2O3 Alloys by First‐Principles Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-07
Xiaoli Liu, Yimin Liao, Justin Goodrich, Hanlin Fu, Nelson Tansu, Chee‐Keong Tan -
Advanced Numerical Modeling and Simulation of Hydrogel‐Based Chemo Fluidic Oscillator for Enhanced Insulin Delivery System in Diabetes Treatment: A Comparative and Sensitivity Analysis Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-07
Illych Alvarez, Esteban Pulley, Patrick Arévalo, Fernando Tenesaca, Ivy Peña Elaje -
Anisotropic Surface Microrollers for Endovascular Navigation: A Computational Analysis with a Case Study in Hepatic Perfusion Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-06
Burak Arslan, Ugur Bozuyuk, Kıvanç Görgülü, Erdost Yildiz, Hakancan Ozturk, Lucia Liotta, Volker Heinemann, Hana Algül, Metin Sitti -
Simulation on the Miniaturization and Performance Improvement Study of Gr/MoS2 Based Vertical Field Effect Transistor Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-06
Sirsendu Ghosh, Anamika Devi Laishram, Pramod Kumar -
Ultra‐Thin 2D/2D Material Heterojunction for Next‐Generation Solar Cells Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-05
Indumathi Elango, Dheebanathan Azhakanantham, Muthamizh Selvamani, Krishna Prakash Arunachalam, Arul Varman Kesavan -
MXene‐Based Nano‐Structures for Plasmonic Perfect Absorber in the Visible Region Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-04
Reihaneh Shaabani, Hossein Shirkani -
Nanoparticle Aggregation Effects on MHD Nanofluid Flow Over a Permeable Sheet with Stretching/Shrinking and Thermal Radiation Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-02
Mohamed Kezzar, Sihem Gherieb, Usman, Sahar Ahmed Idris, Mohamed Rafik Sari, Abeer A. Shaaban, Ibrahim Mahariq -
Data Mining and Machine Learning Analysis to Find Polymers for Electronic and Photovoltaics Applications: A Goal to Achieve Higher Dielectric Constant Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-03
Bo Xiao, Nafees Ahmad, Asif Mahmood, Mohamed H. Helal -
Investigation of Novel Cyclin‐Dependent Kinase 4 Inhibitors for Cancer Treatment: In Silico Approach Using Natural Product Libraries Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-03
Suruchi Bhambri, Prakash C. Jha -
Quenchable Amorphous Diamond: A Novel High‐Pressure Route to Tetrahedral Amorphous Carbon Adv. Theory Simul. (IF 2.9) Pub Date : 2025-05-03
Murat Durandurdu
更新日期：2025-05-03
Copyright © 2014-2025 北京衮雪科技有限公司 All Rights Reserved
京ICP备11026495号-2
京公网安备 11010802027423号
京公网安备 11010802027423号