Roadmap on machine learning in electronic structure

HJ Kulik, T Hammerschmidt, J Schmidt, S Botti… - Electronic …, 2022 - iopscience.iop.org
In recent years, we have been witnessing a paradigm shift in computational materials
science. In fact, traditional methods, mostly developed in the second half of the XXth century …

Machine learning for structure-property mapping of Ising models: Scalability and limitations

Z Tian, S Zhang, GW Chern - Physical Review E, 2023 - APS
We present a scalable machine learning (ML) framework for predicting intensive properties
and particularly classifying phases of Ising models. Scalability and transferability are central …

Machine learning one-dimensional spinless trapped fermionic systems with neural-network quantum states

JWT Keeble, M Drissi, A Rojo-Francàs, B Juliá-Díaz… - Physical Review A, 2023 - APS
We compute the ground-state properties of fully polarized, trapped, one-dimensional
fermionic systems interacting through a Gaussian potential. We use an antisymmetric …

Deep learning nonlocal and scalable energy functionals for quantum Ising models

E Costa, R Fazio, S Pilati - Physical Review B, 2023 - APS
Density functional theory (DFT) is routinely employed in material science and quantum
chemistry to simulate weakly correlated electronic systems. Recently, deep learning (DL) …

Supervised learning of random quantum circuits via scalable neural networks

S Cantori, D Vitali, S Pilati - Quantum Science and Technology, 2023 - iopscience.iop.org
Predicting the output of quantum circuits is a hard computational task that plays a pivotal role
in the development of universal quantum computers. Here we investigate the supervised …

Machine learning for structure-property relationships: Scalability and limitations

Z Tian, S Zhang, GW Chern - arXiv preprint arXiv:2304.05502, 2023 - arxiv.org
We present a scalable machine learning (ML) framework for predicting intensive properties
and particularly classifying phases of many-body systems. Scalability and transferability are …

Deep-learning density functionals for gradient descent optimization

E Costa, G Scriva, R Fazio, S Pilati - Physical Review E, 2022 - APS
Machine-learned regression models represent a promising tool to implement accurate and
computationally affordable energy-density functionals to solve quantum many-body …

Quantum reservoir computing for speckle disorder potentials

P Mujal - Condensed Matter, 2022 - mdpi.com
Quantum reservoir computing is a machine learning approach designed to exploit the
dynamics of quantum systems with memory to process information. As an advantage, it …

[HTML][HTML] Synergy between noisy quantum computers and scalable classical deep learning for quantum error mitigation

S Cantori, A Mari, D Vitali, S Pilati - EPJ Quantum Technology, 2024 - Springer
We investigate the potential of combining the computational power of noisy quantum
computers and of classical scalable convolutional neural networks (CNNs). The goal is to …

Synergy between noisy quantum computers and scalable classical deep learning

S Cantori, A Mari, D Vitali, S Pilati - arXiv preprint arXiv:2404.07802, 2024 - arxiv.org
We investigate the potential of combining the computational power of noisy quantum
computers and of classical scalable convolutional neural networks (CNNs). The goal is to …