Some recent developments in auxiliary-field quantum Monte Carlo for real materials. [PDF]
Journal of Chemical Physics, 2020 The auxiliary-field quantum Monte Carlo (AFQMC) method is a general numerical method for correlated many-electron systems, which is being increasingly applied in lattice models, atoms, molecules, and solids. Here, we introduce the theory and algorithm of
Hao Shi, Shiwei Zhang
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Matrix-Model Simulations Using Quantum Computing, Deep Learning, and Lattice Monte Carlo [PDF]
PRX Quantum, 2021 Matrix quantum mechanics plays various important roles in theoretical physics, such as a holographic description of quantum black holes. Understanding quantum black holes and the role of entanglement in a holographic setup is of paramount importance for ...
E. Rinaldi +6 more
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Quantum-accelerated multilevel Monte Carlo methods for stochastic differential equations in mathematical finance [PDF]
Quantum, 2020 Inspired by recent progress in quantum algorithms for ordinary and partial differential equations, we study quantum algorithms for stochastic differential equations (SDEs).
Dong An +5 more
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QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids [PDF]
Journal of Physics: Condensed Matter, 2018 QMCPACK is an open source quantum Monte Carlo package for ab initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians.
Jeongnim Kim +49 more
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Variational Quantum Monte Carlo Method with a Neural-Network Ansatz for Open Quantum Systems. [PDF]
Physical Review Letters, 2019 The possibility to simulate the properties of many-body open quantum systems with a large number of degrees of freedom (d.o.f.) is the premise to the solution of several outstanding problems in quantum science and quantum information. The challenge posed
A. Nagy, V. Savona
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Quantum Monte Carlo Methods in Nuclear Physics: Recent Advances [PDF]
Annual Review of Nuclear and Particle Science, 2019 In recent years, the combination of precise quantum Monte Carlo (QMC) methods with realistic nuclear interactions and consistent electroweak currents, in particular those constructed within effective field theories (EFTs), has led to new insights in ...
J. Lynn, I. Tews, S. Gandolfi, A. Lovato
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Nature Communications, 2021 The promise of quantum computing lies in harnessing programmable quantum devices for practical applications such as efficient simulation of quantum materials and condensed matter systems.
Andrew D. King +53 more
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Sign-Problem-Free Fermionic Quantum Monte Carlo: Developments and Applications [PDF]
Annual Review of Condensed Matter Physics, 2018 Reliable simulations of correlated quantum systems, including high-temperature superconductors and frustrated magnets, are increasingly desired nowadays to further our understanding of essential features in such systems.
Zi-Xiang Li, H. Yao
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Fast and accurate quantum Monte Carlo for molecular crystals [PDF]
Proceedings of the National Academy of Sciences of the United States of America, 2018 Significance Computational approaches based on the fundamental laws of quantum mechanics are now integral to almost all materials design initiatives in academia and industry.
Andrea Zen +5 more
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Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries [PDF]
Journal of Chemical Theory and Computation, 2019 We employ quantum Monte Carlo to obtain chemically accurate vertical and adiabatic excitation energies, and equilibrium excited-state structures for the small, yet challenging, formaldehyde and thioformaldehyde molecules.
M. Dash +4 more
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