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34 积分 2025-12-09 加入
Multiple B-site doping suppresses ion migration in halide perovskites
2个月前
已完结
Generative Design for Alloys: Harnessing Generative Models for Faster Discovery
3个月前
已完结
Framework to completely bypass expensive DFT calculations via graph neural networks for vacancy formation energy predictions in FCC high entropy alloys
3个月前
已关闭
Efficient Parallelization of Message Passing Neural Network Potentials for Large-Scale Molecular Dynamics
3个月前
已关闭
Fully Tensorized GPU-Accelerated Multi-Population Evolutionary Algorithm for Constrained Multiobjective Optimization Problems
3个月前
已完结
GMMLP : An Efficient Software for Searching the Global‐Minimum of Clusters Accelerated by Using the Machine Learning Potentials
3个月前
已完结
Ba3Ti0.4W1.6O8.6: An Oxygen- and B-Site-Deficient 9R Hexagonal Perovskite Exhibiting Triple Conduction
4个月前
已完结
Autonomous closed-loop framework for reproducible perovskite solar cells
4个月前
已完结
High-entropy solid electrolytes discovery: a dual-stage machine learning framework bridging atomic configurations and ionic transport properties
5个月前
已关闭
Diffusion Model-Guided Inverse Design of Bimetallic Catalysts for Ammonia Decomposition
6个月前
已完结
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