Integration of machine learning with neutron scattering for the Hamiltonian tuning of spin ice under pressure
Quantum materials research requires co-design of theory with experiments and involves demanding simulations and the analysis of vast quantities of data, usually including pattern recognition and clustering. Artificial intelligence is a natural route to optimise these processes and bring theory and e...
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| Autores principales: | , , , , |
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| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
2022
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/154709 |
| Aporte de: |
| Sumario: | Quantum materials research requires co-design of theory with experiments and involves demanding simulations and the analysis of vast quantities of data, usually including pattern recognition and clustering. Artificial intelligence is a natural route to optimise these processes and bring theory and experiments together. Here, we propose a scheme that integrates machine learning with high-performance simulations and scattering measurements, covering the pipeline of typical neutron experiments. Our approach uses nonlinear autoencoders trained on realistic simulations along with a fast surrogate for the calculation of scattering in the form of a generative model. We demonstrate this approach in a highly frustrated magnet, Dy₂Ti₂O₇, using machine learning predictions to guide the neutron scattering experiment under hydrostatic pressure, extract material parameters and construct a phase diagram. Our scheme provides a comprehensive set of capabilities that allows direct integration of theory along with automated data processing and provides on a rapid timescale direct insight into a challenging condensed matter system. |
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