Choosing a recovery process for scale-up requires connecting laboratory results with product requirements, process costs, and scale effects. We analyze records from Pacific Northwest National Laborato...
arXiv:2608. 02402v1 Announce Type: new Abstract: Thermochemical upgrading of plastic waste is a key upcycling pathway, yet the experimental literature is fragmented by heterogeneous conditions and incomplete reporting.
By Jingyang Bai, Zijia Wang, Xiangyi Long, Marcos Millan, Binjian Nie, Mingyue Ding
arXiv:2607. 23896v1 Announce Type: new Abstract: Autonomous laboratories automate experimental execution, but a campaign must also decide which recovery pathway merits optimization.
By Debajyoti Ray, Niranjan Srinivas
SCALE (Simulation‑Calibrated Amortized Learning for Energy Materials) is a physics‑grounded learning architecture that fuses deterministic scientific operators, experimental calibration, and transformer‑scale inference to accelerate the discovery of energy materials. It converts expensive mechanistic computations and measured data into reusable models for rapid screening, ranking, inverse design, and active learning. In a case study on solid‑state metal‑hydride hydrogen‑storage, SCALE calibrated a phase‑equilibrium capacity operator against 381 experimental anchors, generated 5,000 teacher labels, and used a 2.90‑million‑parameter edge‑biased graph transformer to achieve high surrogate fidelity (MAE 0.0582 wt% H₂, RMSE 0.0833 wt% H₂, R² 0.9927, Pearson r 0.9963) while reducing per‑candidate screening cost by 10⁷–10⁸ times.
By Kuan Huang, Bo Bai
arXiv:2606. 13695v1 Announce Type: cross Abstract: Mineral prospectivity modelling (MPM) underpins exploration economics, yet most operational pipelines reduce to data-driven classifiers trained on shallow surface proxies.
By Boris Kriuk
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