OOIR: Observatory of International Research

Papers

(The H4-Index of Advanced Theory and Simulations is 26. 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 2021-11-01 to 2025-11-01.)

Article	Citations
A Study on Ti‐Nb Alloys with Different Composition for Orthopedic Application Using MD Simulations and Experiments	150
The Role of Cobalt Clusters (Co_n, n = 1–5) Supported on Defective γ–Graphyne for Efficient Hydrogen Adsorption: A First Principles Study	99
Modeling and Performance Analysis of Indoor Bifacial Perovskite Photovoltaics with SCAPS‐1D	79
QSAR‐Based Machine Learning Reveals a Repurposed Dual‐Function G4 Ligand against Ensitrelvir‐Resistant SARS‐CoV‐2 Main Protease	76
Tunable Bandgap Design of Soft Phononic Crystals Using Topology Optimization	63
How Can the PtPd‐Based High‐Entropy Alloy Triumphs Conventional Twc Catalyst During the NO Reduction? A Density Functional Theory Study	60
Kinetic Properties of Oxygen Evolution Reaction Catalysis in Hematite	59
Programmable Truncated Cuboctahedral Origami Metastructures Actuated by Shape Memory Polymer Hinges (Adv. Theory Simul. 12/2024)	55
Fermi Surface Topology and Rashba‐Edelstein Charge‐Spin Conversion in Lead‐Halide Perovskites	53
Kinetic Separation of n‐Hexane from 2,2‐Dimethyl Butane in Zeolite Y Using the Novel Levi–Blow Method	47
Validating the Novel Electron Transport Layer with the Use of Experimentally Studied D18:Y6 Bulk Heterojunction Solar Cell	47
Machine Learning Guided Strategies to Develop High Efficiency Indoor Perovskite Solar Cells	45
A Quantum Chemistry Approach of Breast Cancer Drugs Bound to Human Serum Albumin	43
Quantile Correlation‐Based Sufficient Variable Screening by Controlling False Discovery Rate	43
	39
Reinforcement Learning Approach to Advance Non‐Fullerene Acceptor‐Based Semi‐Transparent Organic Solar Cell	38
	36
Metasurface Based Spin‐Selective Wollaston‐and‐Rochon‐Prism‐Like Circularly Polarized Beam Splitter	35
Investigation for Carbonation Mechanism of Tobermorite 9 Å: A Combination of DFT and Ab Initio Molecular Dynamics Study	33
Scalable Low‐Power Skyrmionic Logic Gate Library	30
g‐C₃N₄‐Supported Metal‐Pair Catalysts toward Efficient Electrocatalytic Nitrogen Reduction: A Computational Evaluation	30
Estimation of Lithium‐Ion Battery State of Charge for Electric Vehicles Using an Adaptive Joint Algorithm	29
Quasi‐1D Antiferroelectricity in Centrosymmetric CsTaS₃ Crystal	29
Accurate Description of Coulombic Interactions in Organic Field‐Effect Transistors Enabled by Efficient 3D Poisson's Equation Solver with Mixed Boundary Conditions	27
Modeling and Performance Optimization of Louvered Fin Radiators in Negative Gauge Pressure Condition	26

Heterogeneity in Silk Piezoelectricity