arXiv:2601. 21527v3 Announce Type: replace-cross Abstract: Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening.
By Sajid Mannan, Rupert J. Myers, Rohit Batra, Rocio Mercado, Lothar Wondraczek, N. M. Anoop Krishnan
arXiv:2605. 26833v2 Announce Type: replace-cross Abstract: Polymers underpin applications across energy, healthcare, and materials science, yet their vast chemical space makes systematic discovery challenging.
By Yasharth Yadav, Tze Kwang Gerald Er, Atsushi Goto, Kelin Xia
Polymer property prediction and inverse generative design targeting desired properties are two crucial tasks in machine learning-assisted polymer design. While the former has received considerable attention, there have been limited methods developed for the latter.
arXiv:2608. 01431v1 Announce Type: cross Abstract: Polymer property prediction and inverse generative design targeting desired properties are two crucial tasks in machine learning-assisted polymer design.
By Charlie Pyle, Adarsh Gadari, C. Adrian Figg, Zhenquan Jia, Yaohang Li, Chunjiang Zhu
arXiv:2510. 16023v2 Announce Type: replace Abstract: Linear polymers, macromolecules formed from monomers covalently bonded into continuous chains, underpin countless technologies and are indispensable to modern life.
By Fanmeng Wang, Ruochao Wang, Shan Mei, Wentao Guo, Hongshuai Wang, Qi Ou, Zhifeng Gao, Hongteng Xu
arXiv:2607. 12474v1 Announce Type: new Abstract: Recent advances in foundation models have transformed AI for Science, enabling remarkably accurate predictive performance across domains ranging from protein folding to weather forecasting.
By Ingmar Posner, Anson Lei, Bernhard Sch\"olkopf