Article
Quantum Science & Technology
Saad Yalouz, Bruno Senjean, Filippo Miatto, Vedran Dunjko
Summary: Variational quantum algorithms (VQA) are considered promising for determining properties of complex many-body systems, and efforts have been made to study the potential of quantum devices in encoding fermionic systems, but little is known about the encoding of bosonic systems. This work investigates encoding the ground state of the attractive Bose-Hubbard model using Continuous-Variable (CV) photonic-based quantum circuits, showing high fidelity encoding in various many-body regimes and different initial states. The study also evaluates the use of the encoding in a variational quantum eigensolver algorithm and introduces a scheme to measure Hamiltonian energy in an experimental system, considering the effect of sampling noise.
Article
Physics, Fluids & Plasmas
Sheng Fang, Youjin Deng, Zongzheng Zhou
Summary: The study focuses on the critical properties of the self-avoiding walk model in four spatial dimensions, obtaining a more precise critical fugacity and observing scaling behavior near the critical point, which includes terms from the Gaussian fixed point and multiplicative logarithmic corrections. The results provide strong support for the conjectured finite-size scaling form for the O(n) universality classes at 4D.
Article
Polymer Science
Joao C. O. Guerra, Antonio Cadilhe
Summary: The presence of defects and dirt in actual substrates affects their properties, breaking symmetries and reducing spatial dimensionality. The study shows novel behavior of polymer mass transport on a crystalline substrate when a single attractive impurity is present. The diffusion coefficient is found to have size scaling dependence with the number of monomers in the polymer.
Article
Physics, Fluids & Plasmas
L. S. Ramirez, P. M. Pasinetti, A. J. Ramirez-Pastor
Summary: The random sequential adsorption of extended objects on two-dimensional regular lattices is investigated. The objects are chains formed by occupying adsorption sites on the substrate through a self-avoiding walk. The study focuses on the jamming coverage dependence on lattice connectivity, where the coverage shows a growing behavior with higher connectivity and is higher for tortuous k-mers compared to linear k-mers.
Article
Chemistry, Multidisciplinary
Andre Erpenbeck, Emanuel Gull, Guy Cohen
Summary: Nonequilibrium quantum transport is crucial in nanotechnology. This study focuses on the interaction between quantum correlations and confinement beyond a few channels, demonstrating the potential of quantum correlations in bridging length scales in the design of nanoelectronic devices and sensors.
Article
Computer Science, Interdisciplinary Applications
Bert Mortier, Pieterjan Robbe, Martine Baelmans, Giovanni Samaey
Summary: We have developed a novel multilevel asymptotic-preserving Monte Carlo method, called Multilevel Kinetic-Diffusion Monte Carlo (ML-KDMC), for simulating the kinetic Boltzmann transport equation. By incorporating this method within a Multilevel Monte Carlo (MLMC) framework and utilizing a hierarchy of larger time step sizes, the simulation cost is further reduced. The ML-KDMC method outperforms the single-level KDMC method by several orders of magnitude, demonstrating its efficiency.
JOURNAL OF COMPUTATIONAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Hanqing Zhao, Marija Vucelja
Summary: We introduce an efficient nonreversible Markov chain Monte Carlo algorithm for generating self-avoiding walks with a variable endpoint, and compare its performance with existing algorithms in two and three dimensions.
FRONTIERS IN PHYSICS
(2022)
Article
Physics, Multidisciplinary
C. J. Bradly, A. L. Owczarek
Summary: This study investigates the effect of random impurities on the collapse of a flexible polymer in dilute solution using extended interacting self-avoiding trails on the triangular lattice. The results show that the presence of impurities disrupts the maximally dense phase, transforming it into a denser globule phase.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
(2022)
Article
Chemistry, Physical
Andrij Baumketner
Summary: Low-dimensional structures are increasingly used in various technological applications. A theoretical model based on shape complementarity and minimization of frustration is introduced, which can self-assemble into all Archimedean lattices except one. Monte Carlo simulations confirm that each target lattice can easily assemble and constitutes the minimum free energy conformation. Possible experimental realizations of the proposed model are discussed.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
A. Patrykiejew
Summary: This study investigates the behavior of symmetric binary mixtures confined between attractive planes using Monte Carlo simulation methods in the grand canonical ensemble. The effects of high negative geometric and energetic non-additivity on the phase behavior of mixtures in nanoscopic slit-like pores have been elucidated. It has been shown that the confinement considerably influences the phase behavior, with phase separation being suppressed in narrow pores and qualitatively the same as in bulk systems in wide pores.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Automation & Control Systems
Arnak S. Dalalyan, Avetik Karagulyan, Lionel Riou-Durand
Summary: This paper presents non-asymptotic upper bounds on the error of sampling from a target density using different schemes of discretized Langevin diffusions. The focus is on smooth and log-concave target densities, and the computational complexity is analyzed under smoothness assumptions. The results show that the number of iterations depends polynomially on the dimension to achieve a scaled-error smaller than a prescribed value.
JOURNAL OF MACHINE LEARNING RESEARCH
(2022)
Article
Chemistry, Physical
Xiao Kong, Jianing Zhuang, Liyan Zhu, Feng Ding
Summary: This study presents a low computational cost large-scale kinetic Monte Carlo (KMC) algorithm to simulate the evolution of graphene islands during growth and etching processes, providing new insights and data for understanding the growth and etching of graphene.
NPJ COMPUTATIONAL MATERIALS
(2021)
Article
Chemistry, Analytical
Laura Pires da Mata Costa, Amanda L. T. Brandao, Jose Carlos Pinto
Summary: Polystyrene chemical recycling via pyrolysis is an appropriate method for post-consumption material disposal. However, there is a lack of modeling studies on the degradation mechanism. This study developed a detailed mechanistic model to understand the kinetics of polystyrene degradation and validated the model through experimental data.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2022)
Article
Computer Science, Interdisciplinary Applications
M. Hossein Gorji, Manuel Torrilhon
Summary: The diffusion limit of kinetic systems has garnered significant attention, particularly from the perspective of rarefied gas simulations. Fokker-Planck based kinetic models offer novel approximations of the Boltzmann equation, suitable for small/vanishing Knudsen numbers.
JOURNAL OF COMPUTATIONAL PHYSICS
(2021)
Article
Physics, Multidisciplinary
Nathan Clisby
Summary: The study extended a binary tree implementation of the pivot algorithm to calculate the growth constant of self-avoiding walks on face-centered cubic and body-centered cubic lattices. The results show mu fcc=10.03705785±0.00000014 and mu bcc=6.530511501±0.000000084.
JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL
(2022)
