| Highly Efficient Ammonia Synthesis Electrocatalyst: Single Ru Atom on Naturally Nanoporous Carbon Materials |
28 |
| Deep Learning Reveals Underlying Physics of Light-Matter Interactions in Nanophotonic Devices |
22 |
| A Deep Learning Approach to Identify Local Structures in Atomic-Resolution Transmission Electron Microscopy Images |
21 |
| Machine-Learning Designs of Anisotropic Digital Coding Metasurfaces |
18 |
| Recent Progress in the Theoretical Investigation of Electrocatalytic Reduction of CO2 |
15 |
| Machine Learning Augmented Discovery of Chalcogenide Double Perovskites for Photovoltaics |
15 |
| Energy Landscapes for Proteins: From Single Funnels to Multifunctional Systems |
14 |
| High-Performance Terahertz Sensing at Exceptional Points in a Bilayer Structure |
14 |
| 1D SbSeI, SbSI, and SbSBr With High Stability and Novel Properties for Microelectronic, Optoelectronic, and Thermoelectric Applications |
14 |
| Hydrolytic Stability of Boronate Ester-Linked Covalent Organic Frameworks |
13 |
| Effect of Constituent Materials on Composite Performance: Exploring Design Strategies via Machine Learning |
13 |
| Highly Sensitive Sensing of NO and NO2 Gases by Monolayer C3N |
12 |
| Computational Modeling of Nanoparticle Coalescence |
12 |
| Numerical Study on the Thermal and Optical Performances of an Aerogel Glazing System with the Multivariable Optimization Using an Advanced Machine Learning Algorithm |
12 |
| The Hiphive Package for the Extraction of High-Order Force Constants by Machine Learning |
11 |
| Multifunctional and Multiband Fractal Metasurface Based on Inter-Metamolecular Coupling Interaction |
11 |
| Superior Sensing Properties of Black Phosphorus as Gas Sensors: A Case Study on the Volatile Organic Compounds |
11 |
| Advent of Cross-Scale Modeling: High-Performance Computing of Solidification and Grain Growth |
11 |
| Efficient Prediction of Structural and Electronic Properties of Hybrid 2D Materials Using Complementary DFT and Machine Learning Approaches |
11 |
| Soft Matter Informatics: Current Progress and Challenges |
10 |
| Schottky Contact in Monolayer WS2 Field-Effect Transistors |
10 |
| Origin of Photocurrent and Voltage Losses in Organic Solar Cells |
9 |
| Approaching Perfect Light Incoupling in Perovskite and Silicon Thin Film Solar Cells by Moth Eye Surface Textures |
9 |
| Molecular Dynamics Simulations of the Breathing Phase Transformation of MOF Nanocrystallites |
9 |
| Photoexcitation in Solids: First-Principles Quantum Simulations by Real-Time TDDFT |
9 |
| Machine Learning-Based Charge Transport Computation for Pentacene |
9 |
| A Bayesian Approach to Predict Solubility Parameters |
9 |
| Analytical Modeling of Organic-Inorganic CH(3)NH(3)Pbl(3) Perovskite Resistive Switching and its Application for Neuromorphic Recognition |
9 |
| Predictions of Thermo-Mechanical Properties of Cross-Linked Polyacrylamide Hydrogels Using Molecular Simulations |
9 |
| The Molecular Surface Property Approach: A Guide to Chemical Interactions in Chemistry, Medicine, and Material Science |
9 |
| Topology Optimization of Photonic and Phononic Crystals and Metamaterials: A Review |
8 |
| Materials-Informatics-Assisted High-Yield Synthesis of 2D Nanomaterials through Exfoliation |
8 |
| Dual-Band Terahertz Auto-Focusing Airy Beam Based on Single-Layer Geometric Metasurfaces with Independent Complex Amplitude Modulation at Each Wavelength |
8 |
| The Use of Deep Learning to Fast Evaluate Organic Photovoltaic Materials |
8 |
| Structure and Transport Properties of Water and Hydrated Ions in Nano-Confined Channels |
8 |
| Computational Understanding of the Growth of 2D Materials |
8 |
| Rationalizing Small-Molecule Donor Design toward High-Performance Organic Solar Cells: Perspective from Molecular Architectures |
8 |
| Unraveling Photocatalytic Mechanism and Selectivity in PET-RAFT Polymerization |
8 |
| Toroidal Dipole Resonances in All-Dielectric Oligomer Metasurfaces |
8 |
| Curvature-Induced Sorting of Lipids in Plasma Membrane Tethers |
8 |
| Comparative Analysis of Protein Hydration from MD simulations with Additive and Polarizable Force Fields |
7 |
| Fundamentals and Applications of Chalcogenide Phase-Change Material Photonics |
7 |
| Palladium Dimer Supported on Mo2CO2(MXene) for Direct Methane to Methanol Conversion |
7 |
| Design of Atomically Precise Nanoscale Negative Differential Resistance Devices |
7 |
| Comparison of Hydrodynamic Models for the Electromagnetic Nonlocal Response of Nanoparticles |
7 |
| Controllable Polarization Rotator with Broadband High Transmission Using All-Dielectric Metasurfaces |
7 |
| In-Plane Mechanically Gradated 2D Materials: Exploring Graphene/SiC/Silicene Transition via Full Atomistic Simulation |
7 |
| Silver Oxalate: Mechanical Properties and Extreme Negative Mechanical Phenomena |
7 |
| Toward Computational Design of Catalysts for CO2 Selective Reduction via Reaction Phase Diagram Analysis |
7 |
| Minor Chemistry Changes Alter Surface Hydration to Control Fibronectin Adsorption and Assembly into Nanofibrils |
7 |
