arXiv:2604.00069v1 Announce Type: cross
Abstract: Artificial intelligence is transforming molecular and materials science, but its growing computational and data demands raise critical sustainability challenges. In this Perspective, we examine resourc…
arXiv:2603.29812v1 Announce Type: new
Abstract: Amorphous materials are solids that lack long-range atomic order but possess complex short- and medium-range order. Unlike crystalline materials that can be described by unit cells containing few up to h…
arXiv:2603.28812v1 Announce Type: cross
Abstract: Machine learning offers powerful tools to support experimental techniques, particularly for extracting latent features from large datasets. In magnetic materials, accurately estimating the interfacial …
arXiv:2510.12405v3 Announce Type: replace
Abstract: To address pressing scientific challenges such as climate change, increasingly sophisticated generative models are being developed to efficiently sample the large chemical space of potential function…
arXiv:2603.26889v1 Announce Type: new
Abstract: Molecular discovery is increasingly framed as an inverse design problem: identifying molecular structures that satisfy desired property profiles under feasibility constraints. While recent generative mod…
arXiv:2603.27113v1 Announce Type: new
Abstract: Generating chemically valid 3D molecules is hindered by discrete bond topology: small local bond errors can cause global failures (valence violations, disconnections, implausible rings), especially for d…
arXiv:2512.21782v2 Announce Type: replace-cross
Abstract: There has been unprecedented interest in developing agents that expand the boundary of scientific discovery, primarily by optimizing quantitative objective functions specified by scientists. Ho…
arXiv:2603.27886v1 Announce Type: cross
Abstract: Artificial intelligence (AI) and machine learning (ML) models in materials science are predominantly trained on ideal bulk crystals, limiting their transferability to real-world applications where surf…
arXiv:2603.26752v1 Announce Type: new
Abstract: Tight matching with the environment is key to effective robot operation in complex settings. Situated robots that build their bodies in situ (e.g. by spinning) are uniquely positioned to exploit their su…
arXiv:2603.28362v1 Announce Type: new
Abstract: Multimodal locomotion is crucial for an animal’s adaptability in unstructured wild environments. Similarly, in the human gastrointestinal tract, characterized by viscoelastic mucus, complex rugae, and na…