arXiv AI
Oct 15

Framework for an AI-Ready ARPES Community Database

arXiv:2610.15236v1 Announce Type: cross Abstract: Condensed matter stands to gain profoundly from widespread adoption of artificial intelligence (AI). However, its current means of data organization...

By Zhi-Xun Shen, Jin Gene Wong, Karen Lei, Leon Garcia, Felix Baumberger, Sergey Borisenko, Aaron Bostwick, Ting Cao, Tanny Chavez, Yulin Chen, Monika Choudhary, Andrea Damascelli, Dan Dessau, Thomas P. Devereaux, Sandy A. Ekahana, Alexei Fedorov, Atsushi Fujimori, Yucheng Guo, M. Zahid Hasan, Makoto Hashimoto, Yu He, Philip Hofmann, Zahid Hussain, Harold Y. Hwang, Zhurun Ji, Chunjing Jia, Timur K. Kim, Phil D. C. King, Takeshi Kondo, Alessandra Lanzara, Chun Lin, Donghui Lu, Matteo Michiardi, Sung-Kwan Mo, Brian Moritz, Laurenz Rettig, Eli Rotenberg, Takafumi Sato, Kyle M. Shen, Jonathan A. Sobota, Inna Vishik, Shuolong Yang, Ming Yi, Timothy Zaklama
Hugging Face Trending Papers
Aug 5

CheMLFlow: An Open-Source Platform for Cheminformatics and Materials Informatics Applications

CheMLFlow is an open-source platform for building and executing end-to-end, high-throughput, and agentic workflows for scientific and technological applications. CheMLFlow targets a common bottleneck in scientific machine learning development, where researchers often need to assemble data acquisition, curation, representation, model training, validation, screening, interpretation, and reporting into a reproducible pipeline, even when their primary research contribution concerns only one stage.

arXiv Machine Learning
Oct 2

A strategic roadmap for an atomistic machine-learning ecosystem

arXiv:2609.39090v1 Announce Type: cross Abstract: Data-driven machine learning (ML) techniques have become an essential tool in many domains of science. Their application to atomistic simulations of...

By J\"org Behler, Michele Ceriotti, Cecilia Clementi, G\'abor Cs\'anyi, Alin-Marin Elena, Aditi Krishnapriyan, Joseph W. Abbott, Fabio Affinito, Albert P. Bart\'ok, Ilyes Batatia, Filippo Bigi, Florian N. Br\"unig, Yannick Calvino Alonso, Giuseppe Carleo, Aur\'elie Champagne, Stefan Chmiela, Marc L. Descoteaux, Ralf Drautz, Alexandra Farcas, Meng Gao, Rohit Goswami, Michael F. Herbst, Christian Holm, James R. Kermode, Alexander L. M. Knoll, Tobias Kreiman, Hoang-Thien Luu, Yury Lysogorskiy, Mihai-Cosmin Marinica, Rocco Meli, Klaus-Robert M\"uller, Frank No\'e, Mohamadhosein Nosratjoo, Simon Olsson, Christoph Ortner, Aldo S. Pasos-Trejo, Anyang Peng, Eric Qu, Andrea Rizzi, Mariana Rossi, Bassem Sboui, Gregor N. C. Simm, Alexandre Tkatchenko, Jacopo Venturin, O. Anatole von Lilienfeld, William C. Witt, Brandon M. Wood, Tigany Zarrouk, Fabian Zills