Lv5
1178 积分 2025-10-19 加入
Exploring finite-temperature electronic transport in CoSi alloys with transition metals (Cr, Mn, Fe, and Ni) using the KKR-CPA method
1天前
待确认
The effect of atomic vibration on thermal transport in diatomic semiconductors investigated via ab initio molecular dynamics
1天前
已完结
A modified Müller-Plathe method capable of quickly establishing an expected temperature difference in classical and ab initio molecular dynamics simulations for thermal transport calculations
2天前
已完结
Competitive Occupation-Induced Grain Boundary Enrichment Enables Crack-Free Layered Cathode Materials for Sodium-Ion Batteries
7天前
已完结
Accelerating the calculation of electron–phonon coupling strength with machine learning
25天前
已完结
First-principles calculations of (0 0 1)-Al//(0 0 1) interface in Al-Cu alloys: Atomic structure, bonding strength, stability and electronic properties
27天前
已完结
Stability and Electronic Structure of Different Nanophases/Al Interfaces in Al–Cu–Li Alloys: A First-Principles Perspective
27天前
已完结
The prediction of Al2Cu/Cu interfacial structure and properties: A first-principles study
27天前
已完结
Diffusion Mechanism of Li Argyrodite Solid Electrolytes for Li-Ion Batteries and Prediction of Optimized Halogen Doping: The Effect of Li Vacancies, Halogens, and Halogen Disorder
27天前
已完结
Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method
28天前
已完结
The molecular basis of the inhibitory activities of type A and type B synergimycins and related antibiotics on ribosomes
8个月前
已采纳
Generating hypergeometric laser beams with a diffractive optical element
8个月前
已采纳
Basil Oil is a Promising Skin Penetration Enhancer for Transdermal Delivery of Labetolol Hydrochloride
8个月前
已采纳
A Study of a new wavelet neural network for deep learning
8个月前
已采纳
Cerebral amyloid angiopathy associated with inflammation: A systematic review of clinical and imaging features and outcome
8个月前
已采纳
Targeted Quantification of Peptides Using Miniature Mass Spectrometry
8个月前
已采纳
An Eco-sustainable Green Approach for Biosorption of Methylene Blue Dye from Textile Industry Wastewater by Sugarcane Bagasse, Peanut Hull, and Orange Peel: A Comparative Study Through Response Surface Methodology, Isotherms, Kinetic, and Thermodynamics
8个月前
已采纳
Effect of Ligand Electronics on the Reversible Catalytic Hydrogenation of CO2 to Formic Acid Using Ruthenium Polyhydride Complexes: A Thermodynamic and Kinetic Study
8个月前
已采纳
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