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122 积分 2026-03-02 加入
Density functional theory: Its origins, rise to prominence, and future
12天前
已完结
Inverse Design of High-Performance Thermoelectric Materials via a Generative Model Combined with Experimental Verification
15天前
已完结
A generative model for inorganic materials design
15天前
已完结
Guidelines for accurate and efficient calculations of mobilities in two-dimensional semiconductors
16天前
已完结
Phonon-limited electronic transport through first principles
16天前
已完结
Universal machine learning interatomic potentials are ready for phonons
18天前
已完结
Data-driven discovery of 2D materials by deep generative models
18天前
已完结
High-throughput screening for efficient two-dimensional thermoelectric materials
18天前
已完结
Inverse design of functional materials: a case study in thermoelectrics
20天前
已完结
Strain-adjustable transition from Type-I to Type-II band alignment MoSiGeN4/WGe2N4 van der waals heterostructure: A first-principles study
22天前
已完结
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