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180 积分 2024-03-06 加入
Predicting Crystal Structures: The Parrinello-Rahman Method Revisited
4小时前
已完结
Theoretical insights into performance descriptors and their impact on activity optimization strategies for cobalt-based electrocatalysts
28天前
已完结
Neural network models of potential energy surfaces
5个月前
已完结
Hydrogen-Induced High-Temperature Superconductivity in Two-Dimensional Materials: The Example of Hydrogenated Monolayer MgB2
5个月前
已完结
Recent advances and outstanding challenges for machine learning interatomic potentials
5个月前
已完结
A universal graph deep learning interatomic potential for the periodic table
6个月前
已完结
Long-term stability in perovskite solar cells through atomic layer deposition of tin oxide
6个月前
已完结
Network model with internal complexity bridges artificial intelligence and neuroscience
8个月前
已完结
Design Principles for Trap-Free CsPbX3 Nanocrystals: Enumerating and Eliminating Surface Halide Vacancies with Softer Lewis Bases
10个月前
已完结
Effects of Surface Defects on Performance and Dynamics of CsPbI2Br Perovskite: First-Principles Nonadiabatic Molecular Dynamics Simulations
10个月前
已完结
Molecular and Polymeric Hybrids Based on Covalently Linked Polyoxometalates and Transition‐Metal Complexes
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