RESEARCH PAPER · Digital Discovery · 2023
Using generative adversarial networks to match experimental and simulated inelastic neutron scattering data
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Machine learning for analysis of experimental scattering and spectroscopy data in materials chemistry
Chemical Science · 2023-01-01
Andy S. Anker, Keith T. Butler, Raghavendra Selvan, Kirsten M. Ø. Jensen
Read original paper ↗ ·Materials cartography: A forward-looking perspective on materials representation and devising better maps
APL Machine Learning · 2023-06-01
Steven B. Torrisi, Martin Z. Bazant, Alexander E. Cohen, Min Gee Cho, Jens S. Hummelshøj, Linda Hung, Gaurav Ashish Kamat, Arash Khajeh, Adeesh Kolluru, Xiangyun Lei, Handong Ling, Joseph H. Montoya, Tim Mueller, Aini Palizhati, Benjamin Paren, Brandon K. Phan, Jacob Pietryga, Elodie Sandraz, Daniel Schweigert, Yang Shao‐Horn, Amalie Trewartha, Ruijie Zhu, Debbie Zhuang, Shijing Sun
Read original paper ↗ ·Capturing dynamical correlations using implicit neural representations
Nature Communications · 2023-09-20
Sathya R. Chitturi, Zhurun Ji, Alexander N. Petsch, Cheng Peng, Zhantao Chen, Rajan Plumley, Mike Dunne, Sougata Mardanya, Sugata Chowdhury, Hongwei Chen, Arun Bansil, Adrian E. Feiguin, Alexander I. Kolesnikov, D. Prabhakaran, S. M. Hayden, Daniel F. Ratner, Chunjing Jia, Youssef S. G. Nashed, Joshua J. Turner
Read original paper ↗ ·Synthetic pre-training for neural-network interatomic potentials
Machine Learning Science and Technology · 2023-12-15
John L. A. Gardner, Kathryn T. Baker, Volker L. Deringer
Read original paper ↗ ·Automated Generation and Analysis of Molecular Images Using Generative Artificial Intelligence Models
The Journal of Physical Chemistry Letters · 2024-02-12
Zhiwen Zhu, Jiayi Lu, Shaoxuan Yuan, Yu He, Fengru Zheng, Hao Jiang, Yuyi Yan, Qiang Sun
Read original paper ↗ ·Machine-learning strategies for the accurate and efficient analysis of x-ray spectroscopy
Machine Learning Science and Technology · 2024-05-24
Thomas J. Penfold, Luke Watson, Clelia Middleton, Tudur Wyn David, Sneha Verma, Thomas J. Pope, Julia Kaczmarek, Conor D. Rankine
Read original paper ↗ ·Uncovering obscured phonon dynamics from powder inelastic neutron scattering using machine learning
Machine Learning Science and Technology · 2024-09-01
Yaokun Su, Chen W. Li
Read original paper ↗ ·Small angle neutron scattering in McStas: Optimization for high-throughput virtual experiments
Journal of Neutron Research · 2024-11-01
José Ignacio Robledo, Klaus Lieutenant, Peter Kjær Willendrup
Read original paper ↗ ·On ultrafast x-ray scattering methods for magnetism
Advances in Physics X · 2024-11-24
Rajan Plumley, Sathya R. Chitturi, Cheng Peng, Tadesse A. Assefa, Nicolas Burdet, L. Shen, Zhijiang Chen, Alexander H. Reid, Georgi L. Dakovski, Matthew Seaberg, Frank P. O'Dowd, Sergio A Montoya, H. Chen, Alana Okullo, Sougata Mardanya, S. D. Kevan, Peter Fischer, Eric E. Fullerton, Sunil Kumar Sinha, William Colocho, Alberto A. Lutman, F.-J. Decker, Sujoy Roy, Jun Fujioka, Y. Tokura, Michael P. Minitti, Jeremy A. Johnson, Matthias C. Hoffmann, Michaela Amoo, Adrian E. Feiguin, Chun Hong Yoon, Jana B. Thayer, Youssef S. G. Nashed, Chunjing Jia, Arun Bansil, S. Chowdhury, Aaron M. Lindenberg, Mike Dunne, E. Blackburn, Joshua J. Turner
Read original paper ↗ ·The amorphous state as a frontier in computational materials design
Nature Reviews Materials · 2024-12-16
Yuanbin Liu, Ata Madanchi, Andy S. Anker, Lena Simine, Volker L. Deringer
Read original paper ↗ ·A shift-invariant deep learning framework for automated analysis of XPS spectra
Journal of Electron Spectroscopy and Related Phenomena · 2026-06-27
Issa Saddiq, Yuxin Fan, Robert G. Palgrave, Mark Andrew Isaacs, David J. Morgan, Keith T. Butler
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