BriefGPT.xyz
Oct, 2018
CrystalGAN:利用生成对抗网络发现晶体结构
CrystalGAN: Learning to Discover Crystallographic Structures with Generative Adversarial Networks
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Asma Nouira, Jean-Claude Crivello, Nataliya Sokolovska
TL;DR
我们提出了一种名为CrystalGAN的新型GAN,它能够生成具有升高域复杂度的新型化学稳定晶体结构,这种方法可以应用于发现新型化合物,特别是氢储存材料的研究中。
Abstract
Our main motivation is to propose an efficient approach to generate novel
multi-element stable chemical compounds
that can be used in real world applications. This task can be formulated as a
combinatorial problem
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