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View article: Computation and machine learning for materials: Past, present, and future perspectives
Computation and machine learning for materials: Past, present, and future perspectives Open
Computational methods and machine learning (ML) are reshaping materials science by accelerating their discovery, design, and optimization. Traditional approaches such as density functional theory and molecular dynamics have been instrument…
View article: Dofulator: A Tool for Calculating Degrees of Freedom of Atoms in Molecules with Geometry Constraints
Dofulator: A Tool for Calculating Degrees of Freedom of Atoms in Molecules with Geometry Constraints Open
View article: Interfacial Thermal Transport and Electrical Performances of Supercapacitors with Graphene/Carbon Nanotube Composite Electrodes
Interfacial Thermal Transport and Electrical Performances of Supercapacitors with Graphene/Carbon Nanotube Composite Electrodes Open
Advanced supercapacitors have great potential to transform how we store and utilize energy, leading to more efficient and sustainable energy systems. This study reveals the structural features influencing the interfacial thermal transport …
View article: Interfacial Thermal Transport and Electrical Performance of Supercapacitors with Graphene/Carbon Nanotube Composite Electrodes
Interfacial Thermal Transport and Electrical Performance of Supercapacitors with Graphene/Carbon Nanotube Composite Electrodes Open
Advanced supercapacitors have great potential to transform how we store and utilize energy, leading to more efficient and sustainable energy systems. This study reveals the structural features influencing the interfacial thermal transport …
View article: Effects of Electrostatic Interactions on Kapitza Resistance in Hexagonal Boron Nitride–Water Interfaces
Effects of Electrostatic Interactions on Kapitza Resistance in Hexagonal Boron Nitride–Water Interfaces Open
Electrostatic interactions in nanoscale systems can influence the heat transfer mechanism and interfacial properties. This study uses molecular dynamics simulations to investigate the impact of various electrostatic interactions on the Kap…