Lv21
196 积分 2024-03-16 加入
On-the-fly training of polynomial machine learning potentials in computing lattice thermal conductivity
3小时前
已完结
Projector-based efficient estimation of force constants
4小时前
已完结
Boltzmann generators: Sampling equilibrium states of many-body systems with deep learning
4小时前
已完结
Accelerating Computational Modeling of Reactant Adsorption through a Combined MACE+DFT Approach: Furfural on Cu Surfaces
15天前
已完结
Assessment and Application of Universal Machine Learning Interatomic Potentials in Solid-State Electrolyte Research
15天前
已完结
Unlocking Lithium Superionic Conduction via Phonon Softness Descriptors: A High-Throughput Machine Learning Paradigm
15天前
已完结
Hydrogen liquid-liquid transition from first principles and machine learning
15天前
已完结
Physical trends and design principles in aliovalent double half-Heusler thermoelectrics from high-throughput computational screening
15天前
已完结
Displacive Quantum Critical Point in Superconducting Hydrides: The Case of H_{3}S
16天前
已完结
Active learning strategies for atomic cluster expansion models
22天前
已完结
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