arXiv:2608. 11860v1 Announce Type: cross Abstract: Data-driven inverse design enables efficient generation of nanophotonic structures with prescribed optical responses, but spectrum-to-geometry mapping remains challenging due to non-uniqueness and fine geometric features.
By Waleed Waseer, Muhammad Shahid Jabbar, Muhammad Sohail Ibrahim, Shujaat Khan
arXiv:2606. 00794v1 Announce Type: cross Abstract: Merging first-principles calculations with machine learning (ML), we aim to accelerate the exploration of catalytic behaviour in novel materials.
By Pavlo Melnyk, Anmar Karmush, M{\aa}rten Wadenb\"ack, Ania Beatriz Rodr\'iguez-Barrera, Johanna Rosen, Michael Felsberg, Jonas Bj\"ork
Metasurfaces enable precise manipulation of electromagnetic waves for applications such as beam steering, sensing, and stealth technology. However, inverse design of metasurfaces with targeted EM responses remains challenging due to the computational expense of iterative full wave simulation driven optimization and the limited conditioning fidelity and diversity of existing generative approaches.
arXiv:2606. 00776v1 Announce Type: new Abstract: Fast and accurate prediction of crystal properties is a central challenge in new materials design.
By Shrimon Mukherjee, Kishalay Das, Partha Basuchowdhuri, Pawan Goyal, Niloy Ganguly
arXiv:2606. 16575v1 Announce Type: new Abstract: Deep neural networks (DNNs) have achieved remarkable success in scientific computing, yet they often suffer from spectral bias in capturing oscillatory and multiscale behaviors.
By Yong Wang, Tao Zhou, Xuhui Meng
arXiv:2608. 02157v1 Announce Type: new Abstract: Raman spectroscopy enables non-destructive, label-free molecular characterization across materials science, biomedicine and process monitoring.
By Xingyu Pan, Huan Wang, Jinjia Guo, Zhenlin Zhao, Siming Dong, Jixi Lu