4 papers
Inverse Design of Metamaterials with Manufacturing-Guiding Spectrum-to-Structure Conditional Diffusion Model
Jiawen Li, Jiang Guo, Yuanzhe Li +9
Metamaterials are artificially engineered structures that manipulate electromagnetic waves, having optical properties absent in natural materials. Recently, machine learning for th…
CRYSIM: Prediction of Symmetric Structures of Large Crystals with GPU-based Ising Machines
Chen Liang, Diptesh Das, Jiang Guo +3
Solving black-box optimization problems with Ising machines is increasingly common in materials science. However, their application to crystal structure prediction (CSP) is still i…
Molecule Graph Networks with Many-body Equivariant Interactions
Zetian Mao, Chuan-Shen Hu, Jiawen Li +5
Message passing neural networks have demonstrated significant efficacy in predicting molecular interactions. Introducing equivariant vectorial representations augments expressivity…
Dielectric Tensor Prediction for Inorganic Materials Using Latent Information from Preferred Potential
Zetian Mao, Wenwen Li, Jethro Tan
Dielectrics are crucial for technologies like flash memory, CPUs, photovoltaics, and capacitors, but public data on these materials are scarce, restricting research and development…