Charge Density and Redox Potential of LiNiO 2 Using Ab Initio Diffusion Quantum Monte Carlo by Saritas, Kayahan, Fadel, Eric R., Kozinsky, Boris, Grossman, Jeffrey C.

“…We investigate the charge densities, lithium intercalation potentials, and Li-diffusion barrier energies of LixNiO2 (0.0 < x < 1.0) system using the diffusion quantum Monte Carlo (DMC) method. We find an average redox potential of 4.1(2) eV and a Li-diffusion barrier energy of 0.39(3) eV with DMC. …”
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Role of exchange in density-functional theory for weakly interacting systems: Quantum Monte Carlo analysis of electron density and interaction energy by Grossman, Jeffrey C., Kanai, Yosuke

“…We analyze the density-functional theory (DFT) description of weak interactions by employing diffusion and reptation quantum Monte Carlo (QMC) calculations, for a set of benzene-molecule complexes. …”
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Microscopic Pair Potentials and the Physical Properties of the Condensed Phases of Parahydrogen by Jieru Hu, Massimo Boninsegni

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Temperature Dependence of the Vacancy Formation Energy in Solid 4He by Riccardo Rota, Jordi Boronat

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Second-Neighbor Hopping Effects in the Two-Dimensional Attractive Hubbard Model by Rodrigo Alves Fontenele, Nathan Vasconcelos, Natanael Carvalho Costa, Thereza Paiva, Raimundo Rocha dos Santos

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The Solid Phase of ⁴He: A Monte Carlo Simulation Study by Massimo Boninsegni

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Quantum-critical properties of the one- and two-dimensional random transverse-field Ising model from large-scale quantum Monte Carlo simulations by Calvin Krämer, Jan Alexander Koziol, Anja Langheld, Max Hörmann, Kai Phillip Schmidt

“…We study the ferromagnetic transverse-field Ising model with quenched disorder at $T = 0$ in one and two dimensions by means of stochastic series expansion quantum Monte Carlo simulations using a rigorous zero-temperature scheme. …”
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Point-defect optical transitions and thermal ionization energies from quantum Monte Carlo methods: Application to the F-center defect in MgO by Ertekin, Elif, Wagner, Lucas K., Grossman, Jeffrey C.

“…In particular, the use of quantum Monte Carlo methods can help overcome the band-gap problem and obviate the need for ad hoc corrections. …”
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Local Entanglement of Electrons in 1D Hydrogen Molecule by Ivan P. Christov

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Finite-range effects in ultradilute quantum drops by V Cikojević, L Vranješ Markić, J Boronat

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Effects of Spatial Nonlocality versus Nonlocal Causality for Bound Electrons in External Fields by Ivan P. Christov

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Quadriexciton Binding Energy in Electron–Hole Bilayers by Cesare Malosso, Gaetano Senatore, Stefania De Palo

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Uma abordagem simplificada do método Monte Carlo Quântico: da solução de integrais ao problema da distribuição eletrônica A simplified approach to the Quantum Monte Carlo method: from the solution of integrals to the electronic distribution problem by Wagner Fernando Delfino Angelotti, André Luiz da Fonseca, Guilherme Barreto Torres, Rogério Custodio

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Extraction of a One-Particle Reduced Density Matrix from a Quantum Monte Carlo Electronic Density: A New Tool for Studying Nondynamic Correlation by Carmelo Naim, Claudio Amovilli

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Bound state of a 3He atom at the interface of crystal and superfluid 4He by Massimo Boninsegni

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Spatial Entanglement of Fermions in One-Dimensional Quantum Dots by Ivan P. Christov

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Ordering in one-dimensional few-fermion clusters with repulsive interactions by C Carbonell-Coronado, F De Soto, M C Gordillo

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Measuring von Neumann entanglement entropies without wave functions by T Mendes-Santos, G Giudici, R Fazio, M Dalmonte

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The Fascinating World of Low-Dimensional Quantum Spin Systems: Ab Initio Modeling by Tanusri Saha-Dasgupta

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Confined Quantum Hard Spheres by Sergio Contreras, Alejandro Gil-Villegas

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