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LLM-driven discovery for carbon allotropes with bond-network entropy
24天前
已关闭
A Universal Augmentation Framework for Long-Range Electrostatics in Machine Learning Interatomic Potentials
27天前
已完结
Heterostructure-engineered diamond-graphene composites for high-performance and stable electromagnetic wave absorption
1个月前
已完结
High-pressure formation and characterization of a boron carbide polymorph featuring bent C–B–C chains
1个月前
已完结
Elastic Constants of Single Crystals of the bcc Transition Elements V, Nb, and Ta
1个月前
已完结
First-principles based calculation of the macroscopic α/β interface in titanium
1个月前
已完结
Nucleation mechanism for the direct graphite-to-diamond phase transition
1个月前
已完结
Machine learning interatomic potentials at the centennial crossroads of quantum mechanics
2个月前
已完结
From GROMACS to LAMMPS: GRO2LAM
2个月前
已完结
Fine-tuning universal machine-learned interatomic potentials: A Tutorial on methods and applications
3个月前
已完结
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