OOIR: Observatory of International Research

Papers

(The TQCC of Advanced Theory and Simulations is 4. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-04-01 to 2025-04-01.)

Article	Citations
Spin‐Dependent Electronic Structure and Magnetic Properties of 2D JANUS Mn₂CFCl/CuBiP₂Se₆ Van Der Waals Multiferroic Heterostructures	107
Multiple Heterojunction System of Boron Nitride‐Graphene/Black Phosphorene as Highly Efficient Solar Cell	72
Mechanobiological Stimulations of Algal Cells for Energy Harvesting	62
Molecular Dynamics Study of Fretting Wear Characteristics of Silicon Nitride Bearings	61
Paying Comprehensive Attention to the ESPT Mechanism and Luminescent Property of Salicylic Acid and Its Derivatives in Various Microenvironments	61
Theoretical Exploration of Bioconvection Magneto Flow of Micropolar Nanomaterial Off‐Centered Stagnation Point Framed by Rotating Disk	57
A Simulation Investigation on the Influence of the Small Radius Curved Track on Contact Characteristics Within Axle‐Box Bearings of Urban Rail Vehicles	51
Performance Enhancement of NH₃(CH₂)₄NH₃CoCl₄‐Based Perovskite Solar Cell via DFT‐Guided SCAPS‐1D Simulations	45
C3 Substituted Naphthalimide Derivatives as Promising TADF Emitters: Effect of Donor Strength Revealed by Computational Studies	43
Machine Learning Guided Discovery of Non‐Linear Optical Materials (Adv. Theory Simul. 2/2025)	39
Temperature‐Induced Changes in Multifin‐Schottky Barrier FinFETs: An Analog/RF Linearity Investigation	38
Improving Signal‐to‐Noise Ratio of 1.5T MRI Scans Using High‐Q Resonators Based on Coupled Octa‐Spirals	35
Adsorption of Imidazolium‐Based Ionic Liquid On Pt(111) Surface Studied Using Density Functional Theory	35
Reconfigurable Metasurface for Enhanced Imaging and Image Denoising	34
Tunable Electronic Properties and Contact Performance of Type‐II HfS2${\rm HfS}_2$/MoS2${\rm MoS}_2$ Van der Waals Heterostructure	31
Optimal Design and Performance Analysis of Thermoelectric Power Generation Device Based on Multi‐Objective Genetic Algorithm	31
Biomechanical Finite Element Simulation of Cochlear Implant Surgical Robot Drilling Through Direct Cochlear Access	30
Pressure‐Driven Intrinsic Quantum Confinement and Semiconducting‐to‐Metallic Transition in the Topological Flat Bands Kagome Nb₃Cl₈ Compounds	30
Accurate Description of Coulombic Interactions in Organic Field‐Effect Transistors Enabled by Efficient 3D Poisson's Equation Solver with Mixed Boundary Conditions	27
Quasi‐1D Antiferroelectricity in Centrosymmetric CsTaS₃ Crystal	26
Designing All‐Inorganic EuO‐Sensitized TiO₂ Solar Cell from 4f‐3d Composite Bandgap Structure	26
Research on Curving Acc System for Electric Vehicle Driven by In‐wheel Motors Based on Fmpc And Smc	24
A Precisely‐Controlled Multichannel Phononic Crystal Resonant Cavity	24
First‐Principles Investigation of Phase Stability in Substoichiometric Zirconium Carbide under High Pressure (Adv. Theory Simul. 12/2022)	23
A New Enthalpy of Formation Test Set Designed for Organic Fluorine Containing Compounds	23

DBFN: Double Branch Fusion Network for Vital Components and Defect Detection of Transmission Line	22
Masthead (Adv. Theory Simul. 1/2023)	21
Understanding the Structural Elasticity of RNA and DNA: All‐Atom Molecular Dynamics (Adv. Theory Simul. 1/2023)	21
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2D Semiconducting Polymers Based on Aromatic 1,5‐Diheterocines with Oxygen and Nitrogen	20
Decoding the High Efficiency of Cs₂SnI₆ Perovskite Solar Cells: A Comprehensive Study Through First‐Principles Calculations and SCAPS Modeling	19
Dynamic Numerical Model of Mucus Feeding in Gastropoda	19
Behavior Identification of Silicone‐Ethanol Soft Actuator Based on Statistical Analysis	19
On the relation between Pressure and Coupling Potential in Adaptive Resolution Simulations of Open Systems in contact with a Reservoir	18
A Novel Neural Network Cell Method for Solving Nonlinear Electromagnetic Problems (Adv. Theory Simul. 12/2021)	18
Ventilation and Pollutant Dispersion Analysis in the Uneven Building Arrays along with the Green Roof System	17
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First Order Methods for Geometric Optimization of Crystals: Theoretical Derivations	16
Impacts of Export Restrictions on the Global Personal Protective Equipment Trade Network During COVID‐19 (Adv. Theory Simul. 4/2022)	16
R‐Vine Copulas for Data‐Driven Quantification of Descriptor Relationships in Porous Materials	16
Enhancing Injection Molding Optimization for SFRPs Through Multi‐Fidelity Data‐Driven Approaches Incorporating Prior Information in Limited Data Environments	16
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How to Compute the Contact Angle inside an Opaque Capillary Tube: A Universal Equation (Adv. Theory Simul. 5/2022)	16
Scalable Low‐Power Skyrmionic Logic Gate Library	16
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Modeling and Performance Optimization of Louvered Fin Radiators in Negative Gauge Pressure Condition	16
A Hybrid Grid‐Based Finite‐Element Approach For 3D Steel Casing Forward Modeling	16
Kinetic Separation of n‐Hexane from 2,2‐Dimethyl Butane in Zeolite Y Using the Novel Levi–Blow Method	15
2D Janus TeMoZAZ’ (A = Si,Ge; Z,Z’ = N, P, As; Z ≠ Z'): First‐Principles Insight into the Electronics, and Piezoelectric Properties	15
	15
Synthesizable Double Perovskite Oxide Search via Machine Learning and High‐Throughput Computational Screening	15
Toward Programmable Moiré Computation: Toward Programmable Moiré Computation (Adv. Theory Simul. 7/2021)	14
Exploring the Regulatory Function of the N‐terminal Domain of SARS‐CoV‐2 Spike Protein through Molecular Dynamics Simulation (Adv. Theory Simul. 10/2021)	14
Quantum Analog Annealing of Gain‐Dissipative Ising Machine Driven by Colored Gaussian Noise (Adv. Theory Simul. 3/2022)	14
	14
Low Threshold and Long‐Range Propagation Plasmonic Nanolaser Enhanced by Black Phosphorus Nanosheets	14
Field‐Driven Reversal Models in Artificial Spin Ice: Field‐Driven Reversal Models in Artificial Spin Ice (Adv. Theory Simul. 7/2021)	14
Masthead (Adv. Theory Simul. 2/2022)	14
Masthead (Adv. Theory Simul. 10/2021)	14
What Can We Learn from the Time Evolution of COVID‐19 Epidemic in Slovenia?	13
Electronic and Magnetic Properties of Co‐Decorated Molecular Organic Network Adsorbed on Graphene	13
Unraveling the Mechanism of Structural Stability and Electrochemical Performance of N/F‐Modified Li₂FeSiO₄: A First‐Principles Study	13
Exciton States of Azobenzene Aggregates: A First‐Principles Study	13
Quadrupole Last‐Passage Algorithm for Charge Density on an L‐Shaped Conducting Surface	12
Multiple Orbital Angular Momentum Beams with High‐Purity of Transmission‐Coding Metasurface (Adv. Theory Simul. 4/2023)	12
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Machine Learning Guided Strategies to Develop High Efficiency Indoor Perovskite Solar Cells	12
Tunable Bandgap Design of Soft Phononic Crystals Using Topology Optimization (Adv. Theory Simul. 7/2022)	12
Model‐Based Investigation of Trap‐Assisted Recombination in Photoelectrodes for Water Splitting	12
MC‐KV: A Prognosis‐Oriented Classifier Based on Semi‐Supervised Learning for Molecular Subtyping of Colorectal Cancer	12
A Novel Theoretical Model Development and Simulation of Melt‐Electrospinning Using Kane's and Udwadia–Kalaba Methods	12
A Method for Locating the Real Roots of the Symbolic Quintic Equation Using Quadratic Equations	12
A Quantum Chemistry Approach of Breast Cancer Drugs Bound to Human Serum Albumin	12
Plating of Ion‐Exchange Membranes: A Molecular Dynamics Study	12

GPNet: Key Point Generation Auxiliary Network for Object Detection	11
An Analysis of Antioxidant Therapies for COVID‐19	11
Mechanical Properties of Single and Polycrystalline Solids from Machine Learning	11
Effect of Ti Doping on the Structural, Electronic, Optical and Thermoelectric Properties of ZrO₂: A Systematic DFT Approach	11
Toward an Improved Understanding for Design of Material Extrusion Additive Manufacturing Process‐Based 3D Printers—a Computational Study	11
Realization Method of Stable Continuous Steering Jumping for a Bioinspired Jerboa Robot	11
Quantile Correlation‐Based Sufficient Variable Screening by Controlling False Discovery Rate	11
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Trust Management Methodology and Agents Simulations Framework for Conflict Research	11
Binder Jetting Additive Manufacturing: Spreading and Permeation of Multiple Micron Droplets in Porous Media	11
Multilayer C and BN δ‐Graphyne Sheets: An Exploration of Electronic and Optical Characteristics	11
Photonic Band Gap Material Topological Design at Specified Target Frequency	11
Exploring Trans Effect Concept in Pt(II) Complexes through the Quantum Theory of Atoms in Molecules and Chemical Bond Overlap Model Perspectives (Adv. Theory Simul. 5/2024)	11
How Can the PtPd‐Based High‐Entropy Alloy Triumphs Conventional Twc Catalyst During the NO Reduction? A Density Functional Theory Study	10
Masthead (Adv. Theory Simul. 4/2024)	10
Creation of Three‐Scroll Hidden Conservative Lorenz‐Like Chaotic Flows	10
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Investigation of Rotary Photon Drag of Generated Structured Light in a Five Level Atomic Medium	10
Application of Physical Statistical Modeling in the Adsorption of the Drug Ketoprofen and the 2,4‐D Herbicide using the Bark Campomanesia Guazumifolia Forest Species Modified with H₂	10
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Amino Acid Sorting Based on Bifurcated Nanochannels with Tunable Surface Charge	10
TD‐YOLO: A Lightweight Detection Algorithm for Tiny Defects in High‐Resolution PCBs	10
A Variability‐Aware Behavioral Model of Monolayer MoS₂ RRAM for Tunable Stochastic Sources	10
Dual Electric‐Double‐Layer Model for Work Function Reduction by Polyethyleneimine Coated on Zinc Oxide: All‐Atom Molecular Dynamics Simulations	10
Linear and Nonlinear Optical Properties of Symmetric and Asymmetric Double Triangular Quantum Dots Withinside the Presence of Magnetic Field	9
An Ab Initio Investigation of Ultra‐Low Thermal Conductivity in Organically Functionalized TaS2${\rm TaS}_2$	9
Generalizability of Graph Neural Network Force Fields for Predicting Solid‐State Properties	9
A Transfer Learning‐Based Method for Facilitating the Prediction of Unsteady Crystal Growth	9
Validating the Novel Electron Transport Layer with the Use of Experimentally Studied D18:Y6 Bulk Heterojunction Solar Cell	9
Accelerated Discovery of Gas Response in CuO via First‐Principles Calculations and Machine Learning	9
Extended Isogeometric Analysis of Cracked Piezoelectric Materials in the Presence of Flexoelectricity	9
Tunable Bandgap Design of Soft Phononic Crystals Using Topology Optimization	9
A Decreasing Scaling Transition Scheme from Adam to SGD	9
A Non‐Iterative Wheel‐Rail Contact Geometry Determination Algorithm and Its Application	9
Sphractal: Estimating the Fractal Dimension of Surfaces Computed from Precise Atomic Coordinates via Box‐Counting Algorithm	9
Continual Learning Electrical Conduction in Resistive‐Switching‐Memory Materials	9
g‐C₃N₄‐Supported Metal‐Pair Catalysts toward Efficient Electrocatalytic Nitrogen Reduction: A Computational Evaluation	9
Co‐Substituted BiFeO₃: Electronic, Ferroelectric, and Thermodynamic Properties from First Principles	9
Performance Analysis and Restrictor Structure Improvement of an Internal Feedback Hydrostatic Turntable Oil Pad Considering Internal Flow	8
Estimation of Lithium‐Ion Battery State of Charge for Electric Vehicles Using an Adaptive Joint Algorithm	8
Topological Quantum Cathode Materials for Fast Charging Li‐Ion Battery Identified by Machine Learning and First Principles Calculation	8
Data‐Driven Detection of Integrated Energy Theft Based on VMD‐MIC and Informer	8
Programmable Truncated Cuboctahedral Origami Metastructures Actuated by Shape Memory Polymer Hinges (Adv. Theory Simul. 12/2024)	8
Non‐Monotonic Variation of the Low Lattice Thermal Conductivity with Temperature in Penta‐HgO₂ Sheet	8
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Classification and Inverse Design of Metasurface Absorber in Visible Band	8
Density Functional Theory‐Based Calculations for 2D Hexagonal Lanthanide Metals	8
Metasurface Based Spin‐Selective Wollaston‐and‐Rochon‐Prism‐Like Circularly Polarized Beam Splitter	8
Study on the Diffusion Law of Shield Filling Grouting Slurry Based on VOF‐Multiphase Flow Considering Radial Seepage	8
Investigation for Carbonation Mechanism of Tobermorite 9 Å: A Combination of DFT and Ab Initio Molecular Dynamics Study	8
Predicting High‐Performance Thermoelectric Materials With StarryData2	8
Electro‐Thermo‐Optical Simulations of Phase‐Change GST‐SiC Plasmonic Optical Modulator for Telecom Applications	8
Masthead (Adv. Theory Simul. 11/2024)	8
Impact of Structural Strain on Performance of Halide Perovskite Solar Cells: A Combined DFT and SCAPS‐1D Analysis	8
Strategic Design for Sumanene‐Derived Organic Cathodes with Tailored Redox Activity	8
The Role of Cobalt Clusters (Co_n, n = 1–5) Supported on Defective γ–Graphyne for Efficient Hydrogen Adsorption: A First Principles Study	8
Localized Modes in Nonlinear Fractional Systems with Deep Lattices	8
Photonic Band Gap Material Topological Design at Specified Target Frequency (Adv. Theory Simul. 10/2021)	8
A Detailed First‐Principles Study of the Structural, Elastic, Thermomechanical, and Optoelectronic Properties of Binary Rare‐Earth Tritelluride NdTe₃	8
Effect of External Pressure and Quantum State on the Local Magnetization of Germanium Layers: Ab Initio Calculation	8
Masthead (Adv. Theory Simul. 12/2024)	8
Parameter Conjugate Gradient with Secant Equation Based Elman Neural Network and its Convergence Analysis	8
Deep Transfer Learning: A Fast and Accurate Tool to Predict the Energy Levels of Donor Molecules for Organic Photovoltaics	8
A COMSOL‐Based Study of the Electrical Transport Properties of Al/α$\alpha$‐Al2O3${\rm Al}_{2}{\rm O} _{3}$/Al Josephson Junctions	7
Revisiting the Dielectric Breakdown in a Polycrystalline Ferroelectric: A Phase‐Field Simulation Study	7
Aerodynamic and Acoustic Simulations of Thick Flatback Airfoils Employing High Order DES Methods	7
Substrate‐Adatom Interface Engineering of Transition Metal Decorated Boron‐Doped Graphene Sheet for Enhanced Adsorption of Xe and Kr – A Systematic Ab initio Study	7
Performing of Spin‐Dependent Diodes in Co‐Doped SiC Bilayer by Fully Epitaxial Magnetic Tunnel Junctions	7
Enhanced Adsorption Properties of Noble Metal Modified MoS₂/WS₂ Heterojunctions	7
Ferrocene Appended Linear Chromophores for Aggregation‐Induced Emission (AIE) and Nonlinear Optics (NLO): Combined Experimental and Theoretical Studies	7
Synergetic Triple Absorber Based High‐Efficiency Solar Cell Design	7
Computational Modeling for Intelligent Surface Plasmon Resonance Sensor Design and Experimental Schemes for Real‐Time Plasmonic Biosensing: A Review	7
Fermi Surface Topology and Rashba‐Edelstein Charge‐Spin Conversion in Lead‐Halide Perovskites	7
Self‐Organized Stick Insect‐Like Locomotion under Decentralized Adaptive Neural Control: From Biological Investigation to Robot Simulation	7
Entropy Generation and Thermal Performance Analysis of MHD Ternary Hybrid Nanofluid Jeffery–Hamel Flow Under Heat Generation/Absorption	7
Preventing Electrolyte Decomposition on a Ca Metal Electrode Interface Using an Artificial Solid‐Electrolyte Interphase	7
Electric Load Forecasting based on Wavelet Transform and Random Forest	7
Deep Learning‐Based Classification of Image Data Sets Containing 111 Different Seeds	7
Kinetic Properties of Oxygen Evolution Reaction Catalysis in Hematite	7
Magnetoelectric Effect in Piezopolymer Composites with a Weakly‐Magnetostrictive Filler: The Contribution of Torsional Stresses	7

Designing Ultrafast Cooling Rate for Room Temperature Electrocaloric Effects by Phase‐Field Simulations	7
Adsorption of Water Molecules on Pristine and Defective NiPX₃ (X: S, Se) Monolayers	7
Modeling Hydrogen and Oxygen Evolution Reactions on Single Atom Catalysts with Density Functional Theory: Role of the Functional	7
A Hybrid Neural Network‐Based Improved PSO Algorithm for Gas Turbine Emissions Prediction	7
Adsorption of Typical VOCs Onto Ti₂CO₂ MXene with Implications in Early‐Stage Lung Cancer Diagnosis: A DFT Study	7
Surface Bending Resistance in Architected Nanoporous Metallic Materials	7
Programmable Bidirectional Mechanical Metamaterial with Tunable Stiffness and Frictional Energy Dissipation	7
Reconfigurable Surfaces Using Fringing Electric Fields from Nanostructured Electrodes in Nematic Liquid Crystals	7
Heterogeneity in Silk Piezoelectricity	7
Surface Wrinkling versus Global Buckling Instabilities in Thin Film‐Substrate Systems under Biaxial Loading: Direct 3D Numerical Simulations	7
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	7
The Electronic Structure and Stability of Ti₂SnC/Ag Interface Studied by First‐Principles Calculations	7
Establishing the NiMo₆Se₈ Chevrel Phase as a Promising Material Using DFT	7
Genetic Algorithm to Obtain Accurate Force Constants in Graphene	7
First‐Principles Investigations on Effects of B‐Site Substitution (B═Mn, Fe, and Co) on La‐Based Perovskite Oxides As Bifunctional Electrocatalysts for Rechargeable Metal–Air Batteries	7
Effects of B and P Doping on Electronic Structure and Lithium Diffusion Properties of Si(100) Surface	6
Machine Learning Approaches in Advancing Perovskite Solar Cells Research	6
Scalable Low‐Power Skyrmionic Logic Gate Library (Adv. Theory Simul. 8/2024)	6
Molecular Simulation for the Next Decade	6
High‐Efficiency Non‐Toxic 2‐Terminal and 4‐Terminal Perovskite‐Transition Metal Dichalcogenide Tandem Solar Cells	6
Perovskite La_0.3Sr_0.7Fe_0.7Cr_0.3O₃₋_δ Catalysis Raises the Bar: Preventing Unwanted Near‐Surface Sr Segregation and SrCO₃	6
Surface‐Enhanced Mid‐IR Gas Sensor Employing Wavelength‐Tunable Bloch Surface Waves	6
Usage of Clustering and Weighted Nearest Neighbors for Efficient Missing Data Imputation of Microarray Gene Expression Dataset	6
Masthead (Adv. Theory Simul. 3/2024)	6
Issue Information (Adv. Theory Simul. 3/2025)	6
3W‐MultiHier: A Three Way Multi‐Hierarchical Model Enabled Deep Learning for Brain Tumor Classification in MRI Scans	6
Free H‐Bonding Interaction Sites in Rigid‐Chain Polymers and Their Filling Approach: A Molecular Dynamics Simulation Study	6
Unconstrained Machine Learning Screening for New Li‐Ion Cathode Materials Enhanced by Class Balancing	6
Deterministic Robust Planning and Probabilistic Techno‐Economic Assessment of a Sector Coupled Community Energy System	6
Competitive Hydration Versus Migration of Pre‐hydrated Electrons for CO₂ Reduction in Aqueous Solution Revealed by Ab Initio Molecular Dynamics Simulation	6
Exploiting Petri Nets for Graphical Modelling of Electromagnetic Pulse Switching Operations	6
A Many‐Body Perturbation Theory Approach to Energy Band Alignment at the Crystalline Tetracene–Silicon Interface	6
Continuum Modeling with Functional Lennard–Jones Parameters for DNA‐Graphene Interactions	6
DFT Study of High‐Curie‐Temperature Ferromagnetism in α‐borophene Nanoribbons for Spintronic Applications	6
A Novel Single Gate Controlled Nonvolatile Floating Program Gate Reconfigurable FET	6
Lead‐Free Na₂ZrTeO₆ Double Perovskite: A Promising Candidate for High‐Temperature and Optoelectronic Applications	6
Realistic Estimation of Critical Exponents for Predicting the Magnetocaloric Effect in La_0.7Sr_0.3–xSm_xMn_0.95Ni_0.05O₃ (x = 0, 0.05, 0.1	6
Masthead (Adv. Theory Simul. 7/2023)	6
Comparative Analysis of Excitonic and Biexcitonic Effects on the Power Conversion Efficiency of a CdSe/CdTe/ZnTe Quantum Dot Solar Cell	6
Masthead (Adv. Theory Simul. 8/2024)	6
Machine‐Learned Modeling for Accelerating Organic Solvent Design in Metal‐Ion Batteries	6
Investigation of Defects in Cs₂SnI₆‐Based Double Perovskite Solar Cells Via SCAPS‐1D	6
Optimization of Separation Parameters for a Pneumatic Separation Device for Plastic Evidence at Explosion Sites	6
Simulation of Factor on SOC Inconsistency within a Series‐Connected Lithium‐Ion Battery Pack	6
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Modulating Optical Properties of Graphene with the help of Two‐Dimensional Metal‐Organic Networks	6
Computational Search to Find Efficient Red/Near‐Infrared Emitting Organic Molecules Based on Thermally Activated Delayed Fluorescence for Organic Light‐Emitting Diodes	6
A Comprehensive Investigation on Temperature‐Dependent Small‐Signal Characterization and Modeling of GaN HEMT on Si Substrate	6
Topology Optimization Enabled High Performance and Easy‐to‐Fabricate Hybrid Photonic Crystals	6
Theoretical Prediction of Spinel Na₂In_xSc_0.666−_xCl₄ and Rock‐Salt Na₃In₁₋_xSc_x	5
Self‐Organization Principles of Cell Cycles and Gene Expressions in the Development of Cell Populations	5
Quantum Analog Annealing of Gain‐Dissipative Ising Machine Driven by Colored Gaussian Noise	5
A Potential‐Based Boundary Element Implementation for Modeling Multiple Scattering from Local and Nonlocal Plasmonic Nanowires	5
How Can the PtPd‐Based High‐Entropy Alloy Triumphs Conventional Twc Catalyst During the NO Reduction? A Density Functional Theory Study (Adv. Theory Simul. 1/2024)	5
A Cognitive Control Approach for Networked Control Systems with Random Packet Losses	5
Impacts of Export Restrictions on the Global Personal Protective Equipment Trade Network During COVID‐19	5
3‐D Modeling of Ultrathin Solar Cells with Nanostructured Dielectric Passivation: Case Study of Chalcogenide Solar Cells	5
Architecture Prediction of 3D Composites Using Machine Learning and No‐Destructive Technique	5
Competing s‐p and p‐p Fluctuations in Charge‐Disproportionation of BaBiO₃	5
Large Magnetoresistance in Scandium Nitride Magnetic Tunnel Junctions Using First Principles (Adv. Theory Simul. 11/2021)	5
Masthead (Adv. Theory Simul. 2/2023)	5
Mathematical Modeling of the Co‐Infection Dynamics of Dengue and Malaria Using Delay Differential Equations	5
A Stable Three‐Dimensional Porous Carbon as a High‐Performance Anode Material for Lithium, Sodium, and Potassium Ion Batteries	5
FBP‐CNN: A Direct PET Image Reconstruction Network for Flow Visualization	5
Inelastic Tunnel Transport and Nanoscale Junction Thermoelectricity with Varying Electrode Topology	5
A New Stable, Explicit, Third‐Order Method for Diffusion‐Type Problems	5
Cubine Monolayer as a Super Sensor for NO₂ Molecule Detection and Capture	5
Design of a Stable Heusler Alloy with Switchable Metal‐to‐Half‐Metal Transition at Finite Temperature	5
Theoretical Study on Thermoelectric Performance of N‐Type Mg₃(Sb,Bi)₂ Single Crystal for Cooling or Power Generation	5
Lattice Model of Fluid Transport in Mixed Matrix Membranes	5
Computational Insights Into Betanin for Dsscs: Unraveling Deprotonation Variations and Identifying Optimal Anchoring Sites on TiO₂	5
A Graph‐Based Lithium‐Ion Battery Parameter Estimation Approach to Produce Diverse Synthetic Data	5
Structural and Electronic Properties of Metal/Oxide Nanostructures from First‐Principles: Ru₁₃ Supported on (TiO₂)₈₄ as a Case Study (Adv. Theory Simul. 10/2023)	5
A Dual Neural Network Approach with PID Control and Reference Tracking to Enhance Oil Recovery	5
Threefold Impact on Reaction Coordinate Mapping of Zirconium Based Tri‐Chalcogenide Pseudo‐Monolayers as Emerging Ultrathin Catalysts for Water Splitting	5
Ultrafast Ferroelectric Domain Switching Induced by Nano‐Second Strain‐Pulse	5
Achieving Ohmic Contacts in NbS₂/MoSe₂ van der Waals Heterostructure: A First‐Principles Study	5
A Halide‐Based Perovskite CsGeX₃ (X = Cl, Br, and I) for Optoelectronic and Piezoelectric Applications	5
Global‐Oriented Strategy for Searching Ultrastrength Martensitic Stainless Steels	5
3‐D Modeling of Ultrathin Solar Cells with Nanostructured Dielectric Passivation: Case Study of Chalcogenide Solar Cells (Adv. Theory Simul. 11/2021)	5
Building Models in Pairs for Cross‐Verification Using SDL and DEVS	5
Bending Effect on the Electronic Properties and Nonlinear Optical Responses of Linear Porphyrin Oligomer	5
Numerical Investigation of Flow Patterns and Mixing Characteristics in a 3D Micromixer with Helical Elements over Wide Reynolds Numbers	5
The Application of Supervised Learning Algorithms in Predicting the Formation Energy of NLO Crystals	5
A Multi‐Directional GaN/TiO₂ Cuboidal Nanowire Junctionless FET‐Based Ultra‐High Pressure Sensor: A Design Perspective	5
Masthead (Adv. Theory Simul. 10/2023)	5
Convoluted Magnetoresistance and Magnetic Reversal Processes in Ni–Fe Segmented Cylindrical Nanodots with Tunable Size and Composition for Technological Applications	5
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Theoretically Insight into Co and S Pairs Dispersed on N‐Doped Graphene: Promising Bifunctional Electrocatalysts for Oxygen Reduction/Evolution Reactions	4
Predictive Control Scheme for Fuel Cell Air Compressor Efficiency Enhancement with Surge‐ and Choke‐Constrained Awareness	4
Modeling and Experimental Verification of Surface Roughness for Grinding Monocrystalline Silicon Lens	4
Predicting Photodetector Responsivity through Machine Learning	4
C_358X: A 2D Hexagon‐Free Carbon‐Based Anode Material for Li‐Ion Batteries	4
Thermodynamic Stability Prediction of Triple Transition‐Metal (Ti−Mo−V)3C2${\rm (Ti-Mo-V)}_3{\rm C}_2$ MXenes via Cluster Correlation‐Based Machine Learning	4
Advances in Design of High‐Performance Heterostructured Scintillators for Time‐of‐Flight Positron Emission Tomography	4