From DFT to machine learning: recent approaches to materials science–a review

GR Schleder, ACM Padilha, CM Acosta… - Journal of Physics …, 2019 - iopscience.iop.org
Recent advances in experimental and computational methods are increasing the quantity
and complexity of generated data. This massive amount of raw data needs to be stored and …

Machine learning & artificial intelligence in the quantum domain: a review of recent progress

V Dunjko, HJ Briegel - Reports on Progress in Physics, 2018 - iopscience.iop.org
Quantum information technologies, on the one hand, and intelligent learning systems, on the
other, are both emergent technologies that are likely to have a transformative impact on our …

Phase transitions in particle physics: Results and perspectives from lattice quantum chromo-dynamics

G Aarts, J Aichelin, C Allton, A Athenodorou… - Progress in Particle and …, 2023 - Elsevier
Phase transitions in a non-perturbative regime can be studied by ab initio Lattice Field
Theory methods. The status and future research directions for LFT investigations of Quantum …

Ab initio machine learning in chemical compound space

B Huang, OA Von Lilienfeld - Chemical reviews, 2021 - ACS Publications
Chemical compound space (CCS), the set of all theoretically conceivable combinations of
chemical elements and (meta-) stable geometries that make up matter, is colossal. The first …

Machine learning for quantum matter

J Carrasquilla - Advances in Physics: X, 2020 - Taylor & Francis
Quantum matter, the research field studying phases of matter whose properties are
intrinsically quantum mechanical, draws from areas as diverse as hard condensed matter …

Expressive power of parametrized quantum circuits

Y Du, MH Hsieh, T Liu, D Tao - Physical Review Research, 2020 - APS
Parametrized quantum circuits (PQCs) have been broadly used as a hybrid quantum-
classical machine learning scheme to accomplish generative tasks. However, whether …

Quantum entanglement in neural network states

DL Deng, X Li, S Das Sarma - Physical Review X, 2017 - APS
Machine learning, one of today's most rapidly growing interdisciplinary fields, promises an
unprecedented perspective for solving intricate quantum many-body problems …

Transfer learning in hybrid classical-quantum neural networks

A Mari, TR Bromley, J Izaac, M Schuld, N Killoran - Quantum, 2020 - quantum-journal.org
We extend the concept of transfer learning, widely applied in modern machine learning
algorithms, to the emerging context of hybrid neural networks composed of classical and …

Restricted Boltzmann machine learning for solving strongly correlated quantum systems

Y Nomura, AS Darmawan, Y Yamaji, M Imada - Physical Review B, 2017 - APS
We develop a machine learning method to construct accurate ground-state wave functions
of strongly interacting and entangled quantum spin as well as fermionic models on lattices. A …

Discovering phases, phase transitions, and crossovers through unsupervised machine learning: A critical examination

W Hu, RRP Singh, RT Scalettar - Physical Review E, 2017 - APS
We apply unsupervised machine learning techniques, mainly principal component analysis
(PCA), to compare and contrast the phase behavior and phase transitions in several …