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We present several improvements of the infinite matrix product state (iMPS) algorithm for finding ground states of one-dimensional quantum systems with long-range interactions. As a main new ingredient we introduce the superposed…

Quantum Physics · Physics 2013-03-19 V. Nebendahl , W. Dür

Numerical simulations are crucial for comprehending how engineering structures behave under extreme conditions, particularly when dealing with thermo-mechanically coupled issues compounded by damage-induced material softening. However, such…

Analysis of PDEs · Mathematics 2024-07-03 Qinghua Zhang , Stephan Ritzert , Jian Zhang , Jannick Kehls , Stefanie Reese , Tim Brepols

The behavior of materials is influenced by a wide range of phenomena occurring across various time and length scales. To better understand the impact of microstructure on macroscopic response, multiscale modeling strategies are essential.…

The synchronized molecular dynamics simulation via macroscopic heat and momentum transfer is proposed for the non-isothermal flow behaviors of complex fluids. In this method, the molecular dynamics simulations are assigned to small fluid…

Soft Condensed Matter · Physics 2014-10-29 Shugo Yasuda , Ryoichi Yamamoto

Exotic behaviour of mechanical metamaterials often relies on an internal transformation of the underlying microstructure triggered by its local instabilities, rearrangements, and rotations. Depending on the presence and magnitude of such a…

Soft Condensed Matter · Physics 2020-04-16 Ondřej Rokoš , Jan Zeman , Martin Doškář , Petr Krysl

We derived a number of numerical methods to treat biomolecular systems with multiple time scales. Based on the splitting of the operators associated with the slow-varying and fast-varying forces, new multiple time-stepping (MTS) methods are…

Numerical Analysis · Mathematics 2015-01-15 Chao Liang , Xiaolan Yuan , Xiantao Li

Stochastic spectral methods have achieved great success in the uncertainty quantification of many engineering problems, including electronic and photonic integrated circuits influenced by fabrication process variations. Existing techniques…

Numerical Analysis · Mathematics 2018-12-06 Chunfeng Cui , Zheng Zhang

In this paper, we consider an unconstrained stochastic optimization problem where the objective function exhibits high-order smoothness. Specifically, we propose a new stochastic first-order method (SFOM) with multi-extrapolated momentum,…

Optimization and Control · Mathematics 2025-04-09 Chuan He

In simulations of multiscale dynamical systems, not all relevant processes can be resolved explicitly. Taking the effect of the unresolved processes into account is important, which introduces the need for paramerizations. We present a…

Numerical Analysis · Mathematics 2021-04-14 Daan Crommelin , Wouter Edeling

Optimization problems with the objective function in the form of weighted sum and linear equality constraints are considered. Given that the number of local cost functions can be large as well as the number of constraints, a stochastic…

Optimization and Control · Mathematics 2026-05-26 Nataša Krejić , Nataša Krklec Jerinkić , Sanja Rapajić , Luka Rutešić

In this paper, Hamiltonian and energy preserving reduced-order models are developed for the rotating thermal shallow water equation (RTSWE) in the non-canonical Hamiltonian form with the state-dependent Poisson matrix. The high fidelity…

Numerical Analysis · Mathematics 2024-06-19 Suleyman Yildiz , Murat Uzunca , Bulent Karasozen

In this paper, we investigate projection-based intrusive and data-driven non-intrusive model order reduction methods in numerical simulation of rotating thermal shallow water equation (RTSWE) in parametric and non-parametric form.…

Numerical Analysis · Mathematics 2023-07-19 Süleyman Yıldız , Murat Uzunca , Bülent Karasözen

We introduce a new resource-efficient scheme for fault-tolerant quantum computation known as `macroscale multiplexing' (or simply `Macromux'), that utilizes scalable postselection to significantly improve the threshold of a given…

Mesoscale simulations of woven composites using parameterized analytical geometries offer a way to connect constituent material properties and their geometric arrangement to effective composite properties and performance. However, the…

Materials Science · Physics 2023-02-21 Collin W. Foster , Lincoln N. Collins , Francesco Panerai , Scott A. Roberts

This article reviews recent inverse statistical-mechanical methodologies that we have devised to optimize interaction potentials in soft matter systems that correspond to stable "target" structures. We are interested in finding the…

Soft Condensed Matter · Physics 2008-11-05 Salvatore Torquato

In this paper, we develop new high-order numerical methods for hyperbolic systems of nonlinear partial differential equations (PDEs) with uncertainties. The new approach is realized in the semi-discrete finite-volume framework and is based…

Thermospheric mass density is a major driver of satellite drag, the largest source of uncertainty in accurately predicting the orbit of satellites in low Earth orbit (LEO) pertinent to space situational awareness. Most existing models for…

Space Physics · Physics 2018-08-01 Piyush M. Mehta , Richard Linares , Eric K. Sutton

The paper suggests a generalization of the Sign-Perturbed Sums (SPS) finite sample system identification method for the identification of closed-loop observable stochastic linear systems in state-space form. The solution builds on the…

Systems and Control · Electrical Eng. & Systems 2024-06-11 Szabolcs Szentpéteri , Balázs Csanád Csáji

An algorithm for non-stationary spatial modelling using multiple secondary variables is developed. It combines Geostatistics with Quantile Random Forests to give a new interpolation and stochastic simulation algorithm. This paper introduces…

Methodology · Statistics 2022-01-13 Colin Daly

We consider a class of relaxation problems mixing slow and fast variations which can describe population dynamics models or hyperbolic systems, with varying stiffness (from non-stiff to strongly dissipative), and develop a multi-scale…

Analysis of PDEs · Mathematics 2020-05-27 Philippe Chartier , Mohammed Lemou , Léopold Trémant