arXiv AI By Edward W. Staley, Tom Arbaugh, Michael Pekala, Alexander New, Christopher D. Stiles, Nam Q. Le, Gregory Bassen, Wyatt Bunstine, Tyrel McQueen

Coupling Language Models with Physics-based Simulation for Synthesis of Inorganic Materials

Read the original on arXiv AI →

arXiv:2606. 00315v1 Announce Type: new Abstract: Modern generative machine learning (ML) models can propose novel inorganic crystalline materials with targeted properties; however, synthesis planning of these materials remains difficult due to the complexity of the associated physical processes and limited availability of computational tools.

Machine-generated by The Flow from the publisher's headline and feed description — not written or checked by a human. The full article lives at arXiv AI.

arXiv Machine Learning
Jun 2

Towards Automated Discovery: A Review of Generative Models, Multimodal Learning and Closed-Loop Workflows in Inverse Materials Design

arXiv:2606. 02507v1 Announce Type: cross Abstract: Inverse materials design is shifting materials discovery from forward prediction to targeted proposal of candidates that satisfy objectives under physical constraints.

By Anand Babu, Rog\'erio Almeida Gouv\^ea, Gian-Marco Rignanese
Hugging Face Trending Papers
Jul 20

Chemical filters for ultra-high-throughput materials screening and generation

Generative artificial intelligence is rapidly transforming materials design by enabling de novo exploration of immense chemical spaces. Yet a large proportion of AI-generated compositions remain implausible, violating established chemical principles, which limits the reliability and interpretability of generative materials design.