Results 71 to 80 of about 926,631 (217)
Quantum Emitters in Hexagonal Boron Nitride: Principles, Engineering and Applications
Advanced Functional Materials, EarlyView.Quantum emitters in hexagonal boron nitride have emerged as a promising candidate for quantum information science. This review examines the fundamentals of these quantum emitters, including their level structures, defect engineering, and their possible chemical structures.
Thi Ngoc Anh Mai +8 more
wiley +1 more source
Markov Chain Monte Carlo Methods in Quantum Field Theories: A Modern Primer [PDF]
Springer Briefs in Physics 2020, 2019 We introduce and discuss Monte Carlo methods in quantum field theories. Methods of independent Monte Carlo, such as random sampling and importance sampling, and methods of dependent Monte Carlo, such as Metropolis sampling and Hamiltonian Monte Carlo, are introduced. We review the underlying theoretical foundations of Markov chain Monte Carlo.
arxiv +1 more source
Quantum Monte Carlo Methods [PDF]
Progress of Theoretical Physics Supplement, 2002 Recent developments in Monte Carlo methods for condensed matter physics are reviewed with the emphasis on the world-line Monte Carlo methods and their applications to quantum spin models.
openaire +2 more sources
Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications
Advanced Materials, EarlyView.This review highlights the significance of molecular simulations in expanding the understanding of metal–organic frameworks (MOFs) and improving their gas adsorption applications. The historical development and implementation of molecular simulations in the MOF field are given, high‐throughput computational screening studies used to unlock the ...
Hilal Daglar +3 more
wiley +1 more source
Advanced Physics Research, EarlyView., 2023 The paper discusses the role of scale anomaly in generating edge electric currents via the scale magnetic effect in scalar electrodynamics. Although the boundary electric current is much weaker than the Meissner current induced in superconducting materials, the scale anomaly can enhance conductivity near the boundary of the material.
Maxim Chernodub +2 more
wiley +1 more source
Approaching chemical accuracy with quantum Monte Carlo [PDF]
The Journal of Chemical Physics, 2012 A quantum Monte Carlo study of the atomization energies for the G2 set of molecules is presented. Basis size dependence of diffusion Monte Carlo atomization energies is studied with a single determinant Slater-Jastrow trial wavefunction formed from Hartree-Fock orbitals.
Petruzielo, Frank R. +2 more
openaire +7 more sources
Quantum-inspired magnetic Hamiltonian Monte Carlo
PLOS ONE, 2021 Hamiltonian Monte Carlo (HMC) is a Markov Chain Monte Carlo algorithm that is able to generate distant proposals via the use of Hamiltonian dynamics, which are able to incorporate first-order gradient information about the target posterior. This has driven its rise in popularity in the machine learning community in recent times.
Wilson Tsakane Mongwe +2 more
openaire +6 more sources
Revisiting the hybrid quantum Monte Carlo method for Hubbard and electron-phonon models [PDF]
, 2017 A unique feature of the hybrid quantum Monte Carlo (HQMC) method is the potential to simulate negative sign free lattice fermion models with subcubic scaling in system size. Here we will revisit the algorithm for various models. We will show that for the
S. Beyl, F. Goth, F. Assaad
semanticscholar +1 more source
Computational Modeling of Reticular Materials: The Past, the Present, and the Future
Advanced Materials, EarlyView.Reticular materials are advanced materials with applications in emerging technologies. A thorough understanding of material properties at operating conditions is critical to accelerate the deployment at an industrial scale. Herein, the status of computational modeling of reticular materials is reviewed, supplemented with topical examples highlighting ...
Wim Temmerman +3 more
wiley +1 more source
Ab initio quantum Monte Carlo simulation of the warm dense electron gas [PDF]
, 2016 Warm dense matter is one of the most active frontiers in plasma physics due to its relevance for dense astrophysical objects and for novel laboratory experiments in which matter is being strongly compressed, e.g., by high-power lasers. Its description is
T. Dornheim +6 more
semanticscholar +1 more source