AMGenC: Generating Charge Balanced Amorphous Materials
Amorphous (disordered) materials are solids that have shown great potential in various domains, including energy storage, thermal management, and advanced materials. Unlike crystalline materials that can be described by unit cells containing a few to hundreds of atoms, amorphous materials require larger simulation cells with at least hundreds to thousands of atoms. To advance the design of amorphous materials with desired properties and facilitate the exploration of their vast design space, generative inverse design has emerged as a promising approach. It aims to directly output materials with properties closely aligned with the desired ones using probabilistic generative models condition...
| Authors | Yan Lin, Jilin Hu, N. M. Anoop Krishnan et al. |
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| Primary category | cs.LG |
| Published | 30 April 2026 |
| Last updated at source | 30 April 2026 |
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