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 2021-05-01 to 2025-05-01.)

Article	Citations
	115
Kinetic Separation of n‐Hexane from 2,2‐Dimethyl Butane in Zeolite Y Using the Novel Levi–Blow Method	75
Exploring the Regulatory Function of the N‐terminal Domain of SARS‐CoV‐2 Spike Protein through Molecular Dynamics Simulation (Adv. Theory Simul. 10/2021)	63
	62
Metasurface Based Spin‐Selective Wollaston‐and‐Rochon‐Prism‐Like Circularly Polarized Beam Splitter	61
Photonic Band Gap Material Topological Design at Specified Target Frequency (Adv. Theory Simul. 10/2021)	57
Kinetic Properties of Oxygen Evolution Reaction Catalysis in Hematite	55
Designing Ultrafast Cooling Rate for Room Temperature Electrocaloric Effects by Phase‐Field Simulations	48
Tunable Bandgap Design of Soft Phononic Crystals Using Topology Optimization (Adv. Theory Simul. 7/2022)	44
Accurate Description of Coulombic Interactions in Organic Field‐Effect Transistors Enabled by Efficient 3D Poisson's Equation Solver with Mixed Boundary Conditions	40
Biomechanical Finite Element Simulation of Cochlear Implant Surgical Robot Drilling Through Direct Cochlear Access	39
2D Semiconducting Polymers Based on Aromatic 1,5‐Diheterocines with Oxygen and Nitrogen	38
How Can the PtPd‐Based High‐Entropy Alloy Triumphs Conventional Twc Catalyst During the NO Reduction? A Density Functional Theory Study	35
Modeling and Performance Optimization of Louvered Fin Radiators in Negative Gauge Pressure Condition	34
g‐C₃N₄‐Supported Metal‐Pair Catalysts toward Efficient Electrocatalytic Nitrogen Reduction: A Computational Evaluation	33
Heterogeneity in Silk Piezoelectricity	31
Programmable Truncated Cuboctahedral Origami Metastructures Actuated by Shape Memory Polymer Hinges (Adv. Theory Simul. 12/2024)	31
Mechanical Properties of Single and Polycrystalline Solids from Machine Learning	27
Quasi‐1D Antiferroelectricity in Centrosymmetric CsTaS₃ Crystal	26
Quantile Correlation‐Based Sufficient Variable Screening by Controlling False Discovery Rate	26
A Quantum Chemistry Approach of Breast Cancer Drugs Bound to Human Serum Albumin	25
Linear and Nonlinear Optical Properties of Symmetric and Asymmetric Double Triangular Quantum Dots Withinside the Presence of Magnetic Field	24
	24
Amino Acid Sorting Based on Bifurcated Nanochannels with Tunable Surface Charge	23
Validating the Novel Electron Transport Layer with the Use of Experimentally Studied D18:Y6 Bulk Heterojunction Solar Cell	22

Fermi Surface Topology and Rashba‐Edelstein Charge‐Spin Conversion in Lead‐Halide Perovskites	22
First Order Methods for Geometric Optimization of Crystals: Theoretical Derivations	22
Paying Comprehensive Attention to the ESPT Mechanism and Luminescent Property of Salicylic Acid and Its Derivatives in Various Microenvironments	22
Binder Jetting Additive Manufacturing: Spreading and Permeation of Multiple Micron Droplets in Porous Media	22
Scalable Low‐Power Skyrmionic Logic Gate Library	21
Establishing the NiMo₆Se₈ Chevrel Phase as a Promising Material Using DFT	21
Estimation of Lithium‐Ion Battery State of Charge for Electric Vehicles Using an Adaptive Joint Algorithm	21
Computational Modeling for Intelligent Surface Plasmon Resonance Sensor Design and Experimental Schemes for Real‐Time Plasmonic Biosensing: A Review	20
Preventing Electrolyte Decomposition on a Ca Metal Electrode Interface Using an Artificial Solid‐Electrolyte Interphase	20
The Role of Cobalt Clusters (Co_n, n = 1–5) Supported on Defective γ–Graphyne for Efficient Hydrogen Adsorption: A First Principles Study	19
Machine Learning Guided Strategies to Develop High Efficiency Indoor Perovskite Solar Cells	19
Investigation for Carbonation Mechanism of Tobermorite 9 Å: A Combination of DFT and Ab Initio Molecular Dynamics Study	19
Tunable Bandgap Design of Soft Phononic Crystals Using Topology Optimization	19
A Dual Neural Network Approach with PID Control and Reference Tracking to Enhance Oil Recovery	19
Masthead (Adv. Theory Simul. 9/2021)	18
Predicting Polyolefin Microstructure: A Parallelized Multidimensional Model for Metallocene‐Catalyzed Copolymerization of Propylene and 1‐Decene	18
Theoretical Revelation of Cu₃BiS₃‐Based Thin Film PV Cell Exerting Various Carrier Transport Layers	18
Atomistic Insights into Carbon Dioxide Sequestration in Natural Gas Hydrates in the Presence of Mixture of Flue and Noble Gases	18
Threefold Impact on Reaction Coordinate Mapping of Zirconium Based Tri‐Chalcogenide Pseudo‐Monolayers as Emerging Ultrathin Catalysts for Water Splitting	18
Theoretical Study on Thermoelectric Performance of N‐Type Mg₃(Sb,Bi)₂ Single Crystal for Cooling or Power Generation	18
Lattice Model of Fluid Transport in Mixed Matrix Membranes	18
Exploring a COVID‐19 Endemic Scenario: High‐Resolution Agent‐Based Modeling of Multiple Variants (Adv. Theory Simul. 1/2023)	17
Anisotropic Crystal Structure and High Electron Mobility of Novel Ternary Janus P₆XY Monolayers (X/Y = S, Se, Te): First‐Principles Examinations	17
FR2/mmWave, N258 and N261 Bands, 5G Frequency‐Compatible Ultra‐Thin Metamaterial Absorber with Polarization Insensitivity for EMI shielding Applications	17
Data Science Applied to Carbon Materials: Synthesis, Characterization, and Applications (Adv. Theory Simul. 2/2022)	17
Simulation of Factor on SOC Inconsistency within a Series‐Connected Lithium‐Ion Battery Pack	17
	16
How the Copper Dopant Alters the Geometric and Photoelectronic Properties of the Lead‐Free Cs₂AgSbCl₆ Double Perovskite	16
DFT Study of High‐Curie‐Temperature Ferromagnetism in α‐borophene Nanoribbons for Spintronic Applications	16
Machine Learning Assisted Prediction of Cathode Materials for Zn‐Ion Batteries	16
Lead‐Free Na₂ZrTeO₆ Double Perovskite: A Promising Candidate for High‐Temperature and Optoelectronic Applications	15
Design and Simulation of Innovative QCA Quaternary Logic Gates	15
Predicting Photodetector Responsivity through Machine Learning	15
Adaptive Output Feedback Control for Uncertain Nonlinear Systems with Unknown Modeling Errors	15
A Deep‐Learning Approach to the Dynamics of Landau–Zenner Transitions	14
Topology Optimization Enabled High Performance and Easy‐to‐Fabricate Hybrid Photonic Crystals	14
Enhancing Fast RISC in Hot‐Exciton Thermally Activated Delayed Fluorescence Emitter Through Fused Ring Modification: A Theoretical Insights	14
Machine‐Learned Modeling for Accelerating Organic Solvent Design in Metal‐Ion Batteries	14
Elucidating the Oxidation Process and Enhanced Stability of Black Phosphorus through NTCDA Passivation: A Molecular Dynamics Study	14
Quantum Analog Annealing of Gain‐Dissipative Ising Machine Driven by Colored Gaussian Noise	14
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	14
Sphere Last‐Passage Algorithm for Charge Density on a Smooth (Convex) Conducting Surface	13
Exploring Coupled Martensitic and Order–Disorder Phase Transitions in Fe₇Pd₃ Shape Memory Alloys Equilibrated Along the Bain Path: An Embedded Atom Method and Ab Initio Based Mon	13
Deciphering the Differential Origin of Hydrogen Bonds in the Normal and Tautomer Forms of 7‐Azaindole:Piperidin‐2‐one Hydrogen‐Bonded Complex: Excited‐State Double Proton Transfer	13
Quad‐Band Transmissive Metasurface with Linear to Dual‐Circular Polarization Conversion Simultaneously	13
Adsorption Mechanism and Optical Behaviors of Typical Volatile Organic Compounds on Pristine and Cu/Ni‐Modified C₃N Monolayer: A First‐Principles Study	13
Tuning Catalytic Performance of C₂N/GaN Heterostructure for Hydrogen Evolution Reaction by Doping	13
The Role of Network Topology on Electro‐Thermal and Optical Characteristics of Transparent Thermal Heaters Based on Embedded Random Metallic Mesh	12
	12
Editorial for the Special Issue on “Computational Materials Science”	12

Computational Modelling of Doubly‐Photopolymerized Holographic Biosensors	12
Identifying an Alternative Hydride Transfer Pathway for CO₂ Reduction on CdTe(111) and CuInS₂(112) Surfaces	12
A Localized Planarization Strategy in Hole Mobility Modulation of Disordered Triphenylamine‐Based Organic Semiconductors	12
Optimization of Flow Distribution by Topological Description and Machine Learning in Solution Growth of SiC	12
A Hybrid SARIMA‐LSTM Model for Air Temperature Forecasting	12
Coupled Ionic–Electronic Charge Transport in Organic Neuromorphic Devices	12
Numerical Analysis and Optimization of a Hybrid Layer Structure for Triplet–Triplet Fusion Mechanism in Organic Light‐Emitting Diodes	12
Masthead (Adv. Theory Simul. 5/2022)	12
An Improved Simulated Annealing Algorithm in Dataset Domain for Optimizing Robust Workpiece Fixture Layout	11
Dual Electric‐Double‐Layer Model for Work Function Reduction by Polyethyleneimine Coated on Zinc Oxide: All‐Atom Molecular Dynamics Simulations (Adv. Theory Simul. 1/2025)	11
Electronic Structure, Bonding, and Stability of Boron Subphthalocyanine Halides and Pseudohalides	11
Optimizing the Shape and Chemical Ordering of Nanoalloys with Specialized Walkers	11
Effect of Pressure on the Structural Characteristics of FeAl Alloys During Solidification Using Molecular Dynamics Simulation	11
Unraveling Temperature Distribution Within Crystalline Silicon PV Modules by Different Finite Element Method‐Based Thermal Modeling Approaches	11
Electronic Structure of (Organic‐)Inorganic Metal Halide Perovskites: The Dilemma of Choosing the Right Functional	11
Activating Inert MXenes for Hydrogen Evolution Reaction via Anchored Metal Centers	11
Lateral Driver‐Automation Driver Authority Decision Considering Safety of the Intended Functionality	11
Modeling the Performance of Dy³⁺‐Based Boltzmann Thermometers by the Judd–Ofelt Theory	11
Impact of Small Scale Storage and Intelligent Scheduling Strategy on Cost Effective and Voltage Secure Operation of Wind+PV+Thermal Hybrid System	11
TRACE‐Omicron: Policy Counterfactuals to Inform Mitigation of COVID‐19 Spread in the United States	11
Point Defects in Buckled Honeycomb PAs Monolayer: A Systematic Study of Stability, Electronic, and Magnetic Properties	10
First‐Principles Active‐Site Model Design for High‐Entropy‐Alloy Catalyst Screening: The Impact of Host Element Selection on Catalytic Properties (Adv. Theory Simul. 11/2023)	10
An Analysis of Elusive Relationships in Floating Zone Growth Using Data Mining Techniques	10
The Stabilization Effect of Agmatine‐Salicylate Ionic Liquids on PARP‐1 for Parkinson's Disease: A Perspective from DFT and MD Simulations (Adv. Theory Simul. 12/2024)	10
Concerted Mechanism of Carrier Dynamics in Laser‐Excited Fe_n/(MgO)_m(001) Heterostructures from Real‐Time Time‐Dependent DFT	10
Resolving Structure of ssDNA in Solution by Fusing Molecular Simulations and Scattering Experiments with Machine Learning (Adv. Theory Simul. 12/2023)	10
Research on the Mechanism of Diamond Heteroepitaxial Growth Based on First‐principles Calculations	10
First‐Principles Study of 3d Transition Metal Atoms Doped Ni₁₃ Cluster as Efficient Electrocatalyst for Nitrogen Reduction Reaction	10
Density Functional Theory for Polymer Phase Separations Induced by Coupling of Chemical Reaction and Elastic Stress	10
Lightweight ViT with Multiscale Feature Fusion for Driving Risk Rating Warning System	10
Masthead (Adv. Theory Simul. 4/2023)	10
In Silico Identification of Selective KRAS G12D Inhibitor via Machine Learning‐Based Molecular Docking Combined with Molecular Dynamics Simulation	10
Computation of the Binding Energies between Human ACE2 and Spike RBDs of the Original Strain, Delta and Omicron Variants of the SARS‐CoV‐2: A DFT Simulation Approach	9
3D Hierarchical Graphene‐CNT Anode for Sodium‐Ion Batteries: a First‐Principles Assessment	9
Solar Thermal Absorber Using Fe₂O₃‐SnSe₂‐Ti‐Layered Structure Based on Graphene Material	9
Exploration of New 212 MAX Phases: M₂AB₂ (M = Mo, Ta; A = Ga, Ge) via DFT Calculations	9
Exploration of Half‐Cycle Length of Converging Circular Wavy Duct with Diverging‐Outlet: Turbulent Water Dynamics	9
Structural, Electronic, and Mechanical Properties of 2D Oxidized Diamond (100) Nanofilms	9
Development and Assessment of Computational Models Detailing the Influence of Extra‐Framework Cations on the Local Structure, Stability and Structure‐Property Relationships in Geopolymers	9
Numerical Analysis and Artificial Neural Networks for Solving Nonlinear Tuberculosis Model in SEITR Framework	9
Modeling SARS‐CoV‐2 True Infections in Catalonia through a Digital Twin	9
Closed‐Loop Control of Front Speed During Frontal Polymerization of Dicyclopentadiene—A Numerical Study	9
Analyte‐Driven Clustering of Bio‐Conjugated Magnetic Nanoparticles	9
Line Edge Roughness Effects on the Thermoelectric Properties of Armchair Black Phosphorene Nanoribbons	9
Theoretical Study on Functionalizing A–D–A Type Non‐Fullerene Acceptor by Fused Rings and Side Chains for Organic Solar Cells	9
Investigation of the Electronic Structure in GaAs/Al_xGa_1‐xAs Quantum Dots with Four Electrons	9
Electronic and Magnetic Properties of Ga, As/Br and Partial‐Hydrogenation Doped Stanene: First‐Principles Calculations	9
Nonequilibrium Induced by Reservoirs: Physico‐Mathematical Models and Numerical Tests	9
Numerical Modeling of the Collective Behavior of Scarab Beetles Transporting Dung Balls and Competing for Them on Complex Terrain	9
Crude Oil Leakage Detection Based on DA‐SR Framework	8
Effective Nitrogen Incorporation for High‐Potential Anthracene Cathodes with Conjugated Frameworks	8
Tuning Magnetic Order in CrI3 Bilayers via Moiré Patterns	8
An Intelligent, User‐Inclusive Pipeline for Organic Semiconductor Design	8
Dedicated Boundary Element Modeling for Nanoparticle‐on‐Mirror Structures Incorporating Nonlocal Hydrodynamic Effects	8
Enhanced Photon Harvesting in Wedge Tandem Solar Cell	8
Coding‐Feeding Metasurface for Diffusion and Dual‐Band Emission (Adv. Theory Simul. 8/2022)	8
First‐Principles Study on Introducing Fluorine Doping and Sulfur Vacancy into MoS₂ for Advanced Lithium Storage	8
Beyond Traditional Perovskites: Xenon's Influence on the Vibrational and Electronic Properties of K₄Xe₃O₁₂	8
Design of a Dual‐Band Waveform‐Selective Metasurface Absorber Based on the Combination of Two Resonator Structures Loaded with Nonlinear Circuits	8
Multi‐Phase Field Model of Laser Powder Bed Fusion Based Additive Manufacturing of IN718 Superalloy	8
Electronic Performance and Schottky Contact of 2D GeH/InSe and GeH/In₂Se₃ Heterostructures: Strain Engineering and Electric Field Tunability	8
Modeling n$n$‐Type GaAs/AlGaAs Double Quantum Well Properties with Schrödinger‐Poisson Equations	8
Theory of Truncation Resonances in Continuum Rod‐Based Phononic Crystals with Generally Asymmetric Unit Cells	8
A Boundary Integral Equation Formalism for Modeling Multiple Scattering of Light from 3D Nanoparticles Incorporating Nonlocal Effects	8
Machine Learning‐Based Optimization and Performance Enhancement of CH₃NH₃SnBr₃ Perovskite Solar Cells with Different Charge Transport Materials Using SCAPS‐1D and wxAM	8
Concurrent Characterization of Surface Diffusion and Intermixing of Ge on Si: A Classical Molecular Dynamics Study	8
Simulation of the Thermal Behavior of a Photovoltaic Solar Panel Using Recent Explicit Numerical Methods	8
Single‐Molecule Fluorescence Enhancement by Plasmonic Core–Shell Nanostructures Incorporating Nonlocal Effects	8
Nano‐ to Mm‐Scale Fluid Dynamic Phenomena Induced by Plasmon‐Assisted Photothermal Effect in Microfluidic Channels	8
A Processing and Analytics System for Microscopy Data Workflows: The Pycroscopy Ecosystem of Packages	8
Enhancing Solar Forecasting Accuracy with Sequential Deep Artificial Neural Network and Hybrid Random Forest and Gradient Boosting Models across Varied Terrains (Adv. Theory Simul. 7/2024)	8
DFT Study of the Possible Mechanisms for Synthesizing α‐Cyanophosphonates from β‐Nitrostyrenes	8
Arrhenius Activation Energy Impact on 3D Unsteady Carreau Nanofluid Flow with Joule Heating and Nonlinear Thermal Radiation by Taylor Wavelet	8
Band Gap Calculations for Thorium‐Doped LiCAF	8
	8
Innovation Quinary and n‐Value toward Fuzzy Logic QCA Cell Design	7
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Dynamical Numerical Model of the Molluscan Radula in its Interaction with the Substrate and Food Particles	7
Theoretical Prediction and Thermal Transport Properties of Novel Monolayer TlPt₂Se₃	7

Molecular Dynamics‐Based Conformational Simulation Method for Analysis of Arrival Time Distributions in Ion Mobility Mass Spectrometry (Adv. Theory Simul. 11/2024)	7
Structural Evolution and Electronic Properties of Intermediate Sized Ti_n(n=33--60) Clusters	7
Photonic Materials: On the Molecular Mechanism of a Photo‐Responsive Phase Change Memory (Adv. Theory Simul. 5/2021)	7
Microscopic Insights into the Effects of Surface Chemistry and Roughness (Adv. Theory Simul. 1/2022)	7
Fast and Accurate Determination of the Singlet–Triplet Gap in Donor–Acceptor and Multiresonance TADF Molecules by Using Hole–Hole Tamm–Dancoff Approximated Density Functional Theory	7
Influence of Dimensionality on the Charge Density Wave Phase of 2H‐TaSe₂	7
Wetting and Dewetting Behaviors of Droplets on the Nanoring Surface	7
Masthead (Adv. Theory Simul. 7/2022)	7
Solid Lubricant in the Insect Leg Joints: Numerical Simulation of Tribological Properties	7
Real‐Time and Image‐Based AQI Estimation Based on Deep Learning	7
Molecular Dynamics Simulation of Nanomachining Mechanism between Monocrystalline and Polycrystalline Silicon Carbide	7
Temperature‐Tunable Terahertz Perfect Absorber Based on All‐Dielectric Strontium Titanate (STO) Resonator Structure	7
Metal‐Decorated Crown Ether‐Embedded Graphene Nanomeshes for Enhanced Molecular Adsorption	7
Modeling the Coupled Mass‐Heat Transport in Lennard–Jones‐Like Binary Mixtures by Approach‐to‐Equilibrium Molecular Dynamics (Adv. Theory Simul. 4/2024)	7
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A New Enthalpy of Formation Test Set Designed for Organic Fluorine Containing Compounds (Adv. Theory Simul. 8/2022)	7
Isolation Intervals of the Real Roots of the Parametric Cubic Equation and Improved Complete Root Classification	7
Peridynamic Framework to Model Additive Manufacturing Processes	7
Topology Optimization of Auxetic Hyperelastic Biomaterials for Enhanced Tailored Properties and Ultra‐High Expansion	7
Understanding the CO₂/CH₄/N₂ Separation Performance of Nanoporous Amorphous N‐Doped Carbon Combined Hybrid Monte Carlo with Machine Learning	7
Revival Oscillations in a Closed Bromate‐1,4‐Cyclohexanedione‐Acid System with Ferroin	7
Insights into the Dynamics and Binding Mechanisms of the Alkhumra Virus NS2B/NS3 Protease: A Molecular Dynamics Study	7
A Gradient Model for the Spatial Patterns of Cities	7
Bandgap Engineering of Cesium Lead Halide Perovskite CsPbBr₃ through Cu Doping	7
Lithium‐Ion Battery State of Charge Estimation Using a New Extended Nonlinear State Observer	7
First Principles Investigations of Mild Steel Corrosion Inhibition by Dopamine Derivatives in HCl Solution	7
Machine Learning Accelerates Molten Salt Simulations: Thermal Conductivity of MgCl₂‐NaCl Eutectic	7
How to Compute the Contact Angle inside an Opaque Capillary Tube: A Universal Equation (Adv. Theory Simul. 5/2022)	6
Low Threshold and Long‐Range Propagation Plasmonic Nanolaser Enhanced by Black Phosphorus Nanosheets	6
Reliability Analysis Based on Mixture of Lindley Distributions with Artificial Neural Network	6
Investigation of RBFNN Based on Improved PSO Optimization Algorithm for Performance and Emissions Prediction of a High‐Pressure Common‐Rail Diesel Engine	6
Self‐Organized Stick Insect‐Like Locomotion under Decentralized Adaptive Neural Control: From Biological Investigation to Robot Simulation	6
Investigation of Rotary Photon Drag of Generated Structured Light in a Five Level Atomic Medium	6
Classification and Inverse Design of Metasurface Absorber in Visible Band	6
Localized Modes in Nonlinear Fractional Systems with Deep Lattices	6
Non‐Monotonic Variation of the Low Lattice Thermal Conductivity with Temperature in Penta‐HgO₂ Sheet	6
Multilayer C and BN δ‐Graphyne Sheets: An Exploration of Electronic and Optical Characteristics	6
A Hybrid Grid‐Based Finite‐Element Approach For 3D Steel Casing Forward Modeling	6
Impacts of Export Restrictions on the Global Personal Protective Equipment Trade Network During COVID‐19 (Adv. Theory Simul. 4/2022)	6
Evacuation Simulation of a Passenger Ship Fire Based on a Modified Cellular Automaton	6
Switching the Luminescence between TADF and RTP for Organic D‐A‐D Emitters: The Role of D‐A Connection Modes	6
Ferrocene Appended Linear Chromophores for Aggregation‐Induced Emission (AIE) and Nonlinear Optics (NLO): Combined Experimental and Theoretical Studies	6
Creation of Three‐Scroll Hidden Conservative Lorenz‐Like Chaotic Flows	6
Extended Isogeometric Analysis of Cracked Piezoelectric Materials in the Presence of Flexoelectricity	6
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	6
Novel Estimation of Nanofiber Diameter from SEM Images Using Deep Feature Embeddings and Machine Learning Models	6
Masthead (Adv. Theory Simul. 12/2024)	6
Deep Transfer Learning: A Fast and Accurate Tool to Predict the Energy Levels of Donor Molecules for Organic Photovoltaics	6
Model‐Based Investigation of Trap‐Assisted Recombination in Photoelectrodes for Water Splitting	6
Multiple Orbital Angular Momentum Beams with High‐Purity of Transmission‐Coding Metasurface (Adv. Theory Simul. 4/2023)	6
DBFN: Double Branch Fusion Network for Vital Components and Defect Detection of Transmission Line	6
Hierarchical Multiresolution Design of Bioinspired Structural Composites Using Progressive Reinforcement Learning	6
Molybdenum Disulfide‐based Lossy Mode Resonance Sensors: Uncovering Wider Dynamic Range and High Sensitivity Through Computational Approaches	6
A Novel Neural Network Cell Method for Solving Nonlinear Electromagnetic Problems (Adv. Theory Simul. 12/2021)	6
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Revisiting the Dielectric Breakdown in a Polycrystalline Ferroelectric: A Phase‐Field Simulation Study	6
R‐Vine Copulas for Data‐Driven Quantification of Descriptor Relationships in Porous Materials	6
Entropy Generation and Thermal Performance Analysis of MHD Ternary Hybrid Nanofluid Jeffery–Hamel Flow Under Heat Generation/Absorption	6
Dual Electric‐Double‐Layer Model for Work Function Reduction by Polyethyleneimine Coated on Zinc Oxide: All‐Atom Molecular Dynamics Simulations	6
What Can We Learn from the Time Evolution of COVID‐19 Epidemic in Slovenia?	6
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Convoluted Magnetoresistance and Magnetic Reversal Processes in Ni–Fe Segmented Cylindrical Nanodots with Tunable Size and Composition for Technological Applications	5
A Novel Single Gate Controlled Nonvolatile Floating Program Gate Reconfigurable FET	5
A Comprehensive Investigation on Temperature‐Dependent Small‐Signal Characterization and Modeling of GaN HEMT on Si Substrate	5
Unveiling the Potential of Cs₃Sb₂Cl_xI_9‐x‐Based Solar Cells for Efficient Indoor Light Harvesting: Numerical Simulation	5
The Potential of Phosphorus Nitride Monolayer for Li–S Battery from the Anchoring and Diffusing Perspective: A First‐Principles Study	5
Expanding Design Spaces in Digital Composite Materials: A Multi‐Input Deep Learning Approach Enhanced by Transfer Learning and Multi‐kernel Network	5
Modeling and Experimental Verification of Surface Roughness for Grinding Monocrystalline Silicon Lens	5
The Application of Supervised Learning Algorithms in Predicting the Formation Energy of NLO Crystals	5
Surface‐Enhanced Mid‐IR Gas Sensor Employing Wavelength‐Tunable Bloch Surface Waves	5
3W‐MultiHier: A Three Way Multi‐Hierarchical Model Enabled Deep Learning for Brain Tumor Classification in MRI Scans	5
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Predicting Electronic Structure of Realistic Amorphous Surfaces (Adv. Theory Simul. 11/2023)	5
Toward Optimal False Data Injection Attack against Self‐Triggered Model Predictive Controllers	5
Architecture Prediction of 3D Composites Using Machine Learning and No‐Destructive Technique	5
Predicting the Flow Behavior and Residence Time Distribution in Chemical Reactors: A Simplified and Fast Approach Using Smoothed Particle Hydrodynamics	5
Building Models in Pairs for Cross‐Verification Using SDL and DEVS	5
FMint: Bridging Human Designed and Data Pretrained Models for Differential Equation Foundation Model for Dynamical Simulation	5
Machine Learning Approaches in Advancing Perovskite Solar Cells Research	5
Theoretical Analysis of a 2D Metallic/Semiconducting Transition‐Metal Dichalcogenide NbS₂//WSe₂ Hybrid Interface	5
Bio‐Inspired Advanced Warehouse System for Data Handling and Management	5
Deterministic Robust Planning and Probabilistic Techno‐Economic Assessment of a Sector Coupled Community Energy System	5
Energetic Arguments on the Microstructural Analysis in Ionic Liquids	5
Magnetic and Electric Properties and Their Regulation of the Intrinsic Half‐Metallic Multiferroic Monolayers AV₂S₄	5
Masthead (Adv. Theory Simul. 2/2023)	5
A Precisely‐Controlled Multichannel Phononic Crystal Resonant Cavity	5
Continuum Modeling with Functional Lennard–Jones Parameters for DNA‐Graphene Interactions	5
3‐D Modeling of Ultrathin Solar Cells with Nanostructured Dielectric Passivation: Case Study of Chalcogenide Solar Cells (Adv. Theory Simul. 11/2021)	5
Critical Behavior and Magnetocaloric Properties of LPSMO Nanocrystals via Landau Theory	5
Artificial Intelligence Guided Studies of van der Waals Magnets	5
A Multi‐Directional GaN/TiO₂ Cuboidal Nanowire Junctionless FET‐Based Ultra‐High Pressure Sensor: A Design Perspective	5
Effects of Opposite Atoms on Electronic Structure and Optical Absorption of Two‐Dimensional Hexagonal Boron Nitride	5
Masthead (Adv. Theory Simul. 10/2023)	5
Aluminum Surface Defect Detection Algorithm Based on Improved YOLOv5	5
Field‐Driven Reversal Models in Artificial Spin Ice	5