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RESEARCH PAPER · Nanotechnology · 2023

Autonomous x-ray scattering

Kevin G. Yager, Pawel W Majewski, Marcus M. Noack, Masafumi Fukuto

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Autonomous x-ray scatteringOriginalDomain-specific chatbots for science using embeddings29Deep Learning for Determination of Properties of Semidilute Polymer Solutions3Closing the loop: autonomous experiments enabled by machine-learning-based online data analysis in synchrotron beamline environments37Explainability and human intervention in autonomous scanning probe microscopy17Diversifying self-assembled phases in block copolymer thin films via blending8Machine learning for analyzing atomic force microscopy (AFM) images generated from polymer blends24Towards a science exocortex11Roadmap on Data-Centric Materials Science0Recent advances in synchrotron scattering methods for probing the structure and dynamics of colloids33Machine learning for analyses and automation of structural characterization of polymer materials43Roadmap on data-centric materials science27Targeted materials discovery using Bayesian algorithm execution48OmniXAS: A universal deep-learning framework for materials x-ray absorption spectra8Machine learning approaches for intentional materials engineering5VISION: a modular AI assistant for natural human-instrument interaction at scientific user facilities9Quantifying dispersity in size and shape of nanoparticles from small-angle scattering data using machine learning based CREASE4Self-driving laboratories with artificial intelligence: An overview of process systems engineering perspective14Exocortex Network for AI-Augmented Human-Led Scientific Expedition1High-Throughput Robotic GIWAXS at ALS SAXS/WAXS Beamline4Accelerating Advanced Light Source Science Through Multi-Facility HPC Workflows1Scientific software development in the AI era: reproducibility, MLOps, and applications in soft matter physics2Combinatorial to autonomous experimentation0Uncovering crystal structure evolution via nanobeam X-ray diffraction with a continuity-driven machine learning approach0Toward Unified Autonomous Scattering Experiments: A Cross-Facility Case Study at ALS and PETRA III0Testing the Langer–Bar-on–Miller–Akcasu Equation for the Time Evolution of the Structure Factor during Polymeric Spinodal Decomposition and Dissolution0Accelerating Materials Discovery: A Review of Machine Learning in X‐Ray Absorption Spectroscopy0

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26 direct citing papers saved.

  1. Domain-specific chatbots for science using embeddings

    Digital Discovery · 2023-01-01

    Kevin G. Yager

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  2. Deep Learning for Determination of Properties of Semidilute Polymer Solutions

    ACS Applied Polymer Materials · 2023-09-05

    Ryan Sayko, Michael Jacobs, Marissa Dominijanni, Andrey V. Dobrynin

    Read original paper ↗ ·

  3. Closing the loop: autonomous experiments enabled by machine-learning-based online data analysis in synchrotron beamline environments

    Journal of Synchrotron Radiation · 2023-09-11

    Linus Pithan, Vladimir Starostin, David Mareček, Lukas Petersdorf, Constantin Völter, Valentin Munteanu, Maciej Jankowski, Oleg Konovalov, Alexander Gerlach, Alexander Hinderhofer, Bridget Mary Murphy, Stefan Kowarik, Frank Schreiber

    Read original paper ↗ ·

  4. Explainability and human intervention in autonomous scanning probe microscopy

    Patterns · 2023-10-09

    Yongtao Liu, Maxim A Ziatdinov, Rama Krishnan Vasudevan, Sergei V. Kalinin

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  5. Diversifying self-assembled phases in block copolymer thin films via blending

    Physical Review Materials · 2023-12-08

    Gregory S. Doerk, Kevin G. Yager

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  6. Machine learning for analyzing atomic force microscopy (AFM) images generated from polymer blends

    Digital Discovery · 2024-01-01

    Aanish Paruchuri, Yunfei Wang, Xiaodan Gu, Arthi Jayaraman

    Read original paper ↗ ·

  7. Towards a science exocortex

    Digital Discovery · 2024-01-01

    Kevin G. Yager

    Read original paper ↗ ·

  8. Roadmap on Data-Centric Materials Science

    ChemRxiv · 2024-02-14

    Matthias Scheffler

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  9. Recent advances in synchrotron scattering methods for probing the structure and dynamics of colloids

    Advances in Colloid and Interface Science · 2024-02-22

    Theyencheri Narayanan

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  10. Machine learning for analyses and automation of structural characterization of polymer materials

    Progress in Polymer Science · 2024-05-03

    Shizhao Lu, Arthi Jayaraman

    Read original paper ↗ ·

  11. Roadmap on data-centric materials science

    Modelling and Simulation in Materials Science and Engineering · 2024-05-17

    Stefan Bauer, Peter Benner, Tristan Bereau, Volker Blüm, Mario Boley, Christian Carbogno, C. Richard A. Catlow, Gerhard Dehm, Sebastian Eibl, Ralph Ernstorfer, Ádám Fekete, Lucas Foppa, Peter Fratzl, Christoph Freysoldt, Baptiste Gault, Luca M. Ghiringhelli, Sajal Kumar Giri, Anton Gladyshev, Pawan Goyal, Jason R. Hattrick-Simpers, Lara Kabalan, Petr Karpov, Mohammad Sarkari Khorrami, Christoph T. Koch, Sebastian Kokott, Thomas Kosch, Igor Kowalec, Kurt Kremer, Andreas Leitherer, Yue Li, Christian H. Liebscher, Andrew James Logsdail, Zhongwei Lu, Phuc Luong, Andreas Marek A, Florian Merz, Jaber Rezaei Mianroodi, Jörg Neugebauer, Zongrui Pei, Thomas A. R. Purcell, Dierk Raabe, Markus Rampp, Mariana Rossi, Jan Michael Rost, James E. Saal, Ulf Saalmann, Kasturi Narasimha Sasidhar, Alaukik Saxena, Luigi Sbailò, Markus Scheidgen, Marcel Schloz, Daniel Francis Schmidt, Simon Teshuva, Annette Trunschke, Ye Wei, Gerhard Weikum, Rui Patrick Xian, Yiyu Y. Yao, Junqi Yin, Meng Zhao, Matthias Scheffler

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  12. Targeted materials discovery using Bayesian algorithm execution

    npj Computational Materials · 2024-07-18

    Sathya R. Chitturi, Akash Ramdas, Yue Wu, Brian A. Rohr, Stefano Ermon, Jennifer A. Dionne, Felipe H. da Jornada, Mike Dunne, Christopher J. Tassone, Willie Neiswanger, Daniel F. Ratner

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  13. OmniXAS: A universal deep-learning framework for materials x-ray absorption spectra

    Physical Review Materials · 2025-04-24

    Shubha R. Kharel, Fanchen Meng, Xiaohui Qu, Matthew R. Carbone, Deyu Lu

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  14. Machine learning approaches for intentional materials engineering

    MRS Bulletin · 2025-05-01

    Yu‐chen Karen Chen‐Wiegart, Norbert W. Huber, Kevin G. Yager

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  15. VISION: a modular AI assistant for natural human-instrument interaction at scientific user facilities

    Machine Learning Science and Technology · 2025-05-16

    Shray Mathur, Noah van der Vleuten, Kevin G. Yager, Esther H. R. Tsai

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  16. Quantifying dispersity in size and shape of nanoparticles from small-angle scattering data using machine learning based CREASE

    Journal of Applied Crystallography · 2025-07-17

    Rohan S. Adhikari, Sri Vishnuvardhan Reddy Akepati, Matthew R. Carbone, Asritha Polu, Hyeong Jin Kim, Yugang Zhang, Arthi Jayaraman

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  17. Self-driving laboratories with artificial intelligence: An overview of process systems engineering perspective

    Computers & Chemical Engineering · 2025-07-26

    You-Hyun Kim, Hayoung Doo, Daeun Shin, Seo Yoon Lee, Seo Yoon Lee, Yugyeong Roh, Seong‐Eun Park, Heejin Song, Yujin Jung, Hyuk Jun Yoo, Sang Soo Han, Jong Woo Kim, Maximilian O. Besenhard, Ye Seol Lee, Jonggeol Na

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  18. Exocortex Network for AI-Augmented Human-Led Scientific Expedition

    Photon Science · 2025-10-22

    Esther H. R. Tsai, Kevin G. Yager

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  19. High-Throughput Robotic GIWAXS at ALS SAXS/WAXS Beamline

    Photon Science · 2025-10-22

    Eric G. Schaible, Ivan Galikeev, Matthew Roizin-Prior, Garrett W. Birkel, Yunfei Wang, Wiebke Koepp, Raja Vyshnavi Sriramoju, Harold S. Barnard, Chinweike Osubor, Camille Molsick-Gibson, Piotr Gach, Sujoy Roy, Xiaodan Gu, Dylan McReynolds, Alexander Hexemer, Lucas Kistulentz, Damon English, Dilworth Y. Parkinson, Chenhui Zhu

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  20. Accelerating Advanced Light Source Science Through Multi-Facility HPC Workflows

    Unknown journal · 2025-11-07

    David Abramov, Samuel S. Welborn, Ryan Chard, Kuldeep Chawla, Xiaoya Chong, Elizabeth Clark, Bjoern Enders, Alexander Hexemer, Jason Jed, Wiebke Koepp, Harinarayan Krishnan, Seij De Leon, Dilworth Y. Parkinson, David Perlmutter, Raja Vyshnavi Sriramoju, Thomas D. Uram, Lee Lisheng Yang, Dylan McReynolds

    Read original paper ↗ ·

  21. Scientific software development in the AI era: reproducibility, MLOps, and applications in soft matter physics

    Frontiers in Physics · 2025-11-28

    Nikolaos Cheimarios

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  22. Combinatorial to autonomous experimentation

    Elsevier eBooks · 2026-01-01

    Krishna Rajan

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  23. Uncovering crystal structure evolution via nanobeam X-ray diffraction with a continuity-driven machine learning approach

    Materials & Design · 2026-02-15

    Z.Y. Wu, Tetsuya Tohei, Yusuke Hayashi, Shigeyoshi Usami, Masayuki Imanishi, Yusuke Mori, Junichi Takino, Kazushi Sumitani, Yasuhiko Imai, Shigeru Kimura, Akira Sakai

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  24. Toward Unified Autonomous Scattering Experiments: A Cross-Facility Case Study at ALS and PETRA III

    Photon Science · 2026-03-02

    Wiebke Koepp, Benedikt Sochor, Dylan McReynolds, Tanny Chávez, Marcus M. Noack, Raja Vyshnavi Sriramoju, Aidan H. Coffey, Yunfei Wang, Enno Henn, Anna Katharina Sambale, Eric Euchler, Damon English, F. Schlünzen, Eric G. Schaible, Chenhui Zhu, Sarathlal Koyiloth Vayalil, Stephan Volkher Roth, Alexander Hexemer

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  25. Testing the Langer–Bar-on–Miller–Akcasu Equation for the Time Evolution of the Structure Factor during Polymeric Spinodal Decomposition and Dissolution

    Macromolecules · 2026-04-20

    Matthew C. Jones, Nigel Clarke

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  26. Accelerating Materials Discovery: A Review of Machine Learning in X‐Ray Absorption Spectroscopy

    Advanced Intelligent Systems · 2026-08-30

    Melaku Lake Tegegne, Haodong Yao, Liyuan Wu, Yihe Pang, Fazhi Qi, Lina Zhao

    Read original paper ↗ ·
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