The paper introduces a neural‑network based local‑box chemical kinetics solver for exoplanet atmospheres, employing a residual flow‑map architecture. It achieves microsecond‑scale inference with percent‑level accuracy across a wide range of temperatures, pressures, time steps, and compositional variations, outperforming other machine‑learning models and handling the extreme stiffness of atmospheric chemistry. The surrogate model offers a flexible, efficient alternative to classical solvers for state‑to‑state flow‑map problems in numerical simulations.
By Isaac Malsky, Xi Zhang, Tiffany Kataria, Matthew Graham, Ziyu Huang, Boris Bonev, Shang-Min Tsai, Elspeth K. H. Lee
arXiv:2607. 23880v1 Announce Type: cross Abstract: Nitrous oxide (N$_2$O) is the dominant ozone-depleting substance emitted in the 21st century, and the third largest contributor to anthropogenic greenhouse gases due to its high potency and long atmospheric lifetime, with more than 70% of N$_2$O emissions occurring as a result of agricultural processes.
By Freddy Yu, Jashanjeet Kaur Dhaliwal, Subhadeep Chakraborty
The paper presents a hierarchical deep‑learning framework that integrates compositional, structural, and transport models to screen solid‑state electrolytes. Four modules—L‑G‑DCNN, DenseGNN, MatterSim, and DeePMD—coordinate to evaluate thermodynamics, multi‑property performance, and kinetic transport, outperforming existing methods. Applied to over 30 million candidates, the workflow identifies 97 high‑performance materials, mainly halides, and links Li⁺ jump‑network connectivity to ionic conductivity while highlighting limits for oxide electrolytes.
By Hongwei Du, Dingyang Lv, Baole Wei, Yongheng Li, Feng Yu, Ziheng Lu, Siqi Shi, Hong Wang
arXiv:2606. 19152v1 Announce Type: cross Abstract: Identifying the lowest-energy surface-adsorbate configuration is critical for modeling heterogeneous catalysis, yet exhaustive exploration with ab initio calculations is computationally prohibitive.
By Zongmin Zhang, Yuyang Lou, Bowen Zhang, Junwu Chen, Ryo Kuroki, Xuan Vu Nguyen, Edvin Fako, Lixue Cheng, Philippe Schwaller
arXiv:2604. 14562v2 Announce Type: replace Abstract: Accurate temperature field prediction in metal additive manufacturing (AM) is essential for understanding the process-structure-performance relationship.
By Hyeonsu Lee, Jihoon Jeong
arXiv:2606. 14729v1 Announce Type: cross Abstract: Turbulent combustion simulations are crucial for many scientific and engineering systems.
By Nicolas J. Tricard, Benjamin C. Koenig, Sili Deng