English
Related papers

Related papers: An adaptive interpolation scheme for molecular pot…

200 papers

A novel adaptive technique for electromagnetic Particle In Cell (PIC) plasma simulations is presented here. Two main issues are identified in designing adaptive techniques for PIC simulation: first, the choice of the size of the particle…

Plasma Physics · Physics 2015-06-04 M. E. Innocenti , G. Lapenta , S. Markidis , A. Beck , A. Vapirev

Reconfigurable intelligent surfaces (RISs) modify signal reflections to enhance wireless communication capabilities. Classical RIS phase optimization is highly non convex and challenging in dynamic environments due to high interference and…

Systems and Control · Electrical Eng. & Systems 2026-04-21 Noha Hassan , Xavier Fernando , Halim Yanikomeroglu

In this paper we propose an accurate, and computationally efficient method for incorporating adaptive spatial resolution into weakly-compressible Smoothed Particle Hydrodynamics (SPH) schemes. Particles are adaptively split and merged in an…

Fluid Dynamics · Physics 2022-05-17 Abhinav Muta , Prabhu Ramachandran

The fast Ewald methods are widely used to compute the point-charge electrostatic interactions in molecular simulations. The key step that introduces errors in the computation is the particle-mesh interpolation. In this work, the optimal…

Chemical Physics · Physics 2017-10-25 Han Wang , Jun Fang , Xingyu Gao

We propose an iterative algorithm for incomplete quantum process tomography, with the help of quantum state estimation, based on the combined principles of maximum-likelihood and maximum-entropy. The algorithm yields a unique estimator for…

Quantum Physics · Physics 2012-01-04 Yong Siah Teo , Berthold-Georg Englert , Jaroslav Rehacek , Zdenek Hradil

We develop new adaptive alternative weighted essentially non-oscillatory (A-WENO) schemes for hyperbolic systems of conservation laws. The new schemes employ the recently proposed local characteristic decomposition based central-upwind…

Numerical Analysis · Mathematics 2022-11-15 Alina Chertock , Shaoshuai Chu , Alexander Kurganov

In this paper, we consider a reconfigurable intelligent surface (RIS) and model it by using multiport network theory. We first compare the representation of RIS by using $Z$-parameters and $S$-parameters, by proving their equivalence and…

Information Theory · Computer Science 2023-09-01 Andrea Abrardo , Alberto Toccafondi , Marco Di Renzo

The Kohn-Sham equation is a powerful, widely used approach for computation of ground state electronic energies and densities in chemistry, materials science, biology, and nanosciences. In this paper, we study the adaptive finite element…

Numerical Analysis · Mathematics 2013-11-22 Huajie Chen , Xiaoying Dai , Xingao Gong , Lianhua He , Aihui Zhou

Using a deterministic framework allows us to estimate a function with the purpose of interpolating data in spatial statistics. Radial basis functions are commonly used for scattered data interpolation in a d-dimensional space, however,…

Computation · Statistics 2024-04-03 Joaquin Cavieres , Michael Karkulik

An interpolation-based decoding scheme for interleaved subspace codes is presented. The scheme can be used as a (not necessarily polynomial-time) list decoder as well as a probabilistic unique decoder. Both interpretations allow to decode…

Information Theory · Computer Science 2014-08-07 Hannes Bartz , Antonia Wachter-Zeh

For simulation studies of (macro) molecular liquids it would be of significant interest to be able to adjust or increase the level of resolution within one region of space, while allowing for the free exchange of molecules between open…

The Adaptive Multilevel Splitting algorithm is a very powerful and versatile method to estimate rare events probabilities. It is an iterative procedure on an interacting particle system, where at each step, the $k$ less well-adapted…

Probability · Mathematics 2014-05-07 Charles-Edouard Bréhier , Tony Lelievre , Mathias Rousset

A high-order quadrature scheme is constructed for the evaluation of Laplace single and double layer potentials and their normal derivatives on smooth surfaces in three dimensions. The construction begins with a harmonic approximation of the…

Numerical Analysis · Mathematics 2024-11-20 Shidong Jiang , Hai Zhu

We propose an adaptive quantum algorithm to prepare accurate variational time evolved wave functions. The method is based on the projected Variational Quantum Dynamics (pVQD) algorithm, that performs a global optimization with linear…

Quantum Physics · Physics 2025-02-20 David Linteau , Stefano Barison , Netanel Lindner , Giuseppe Carleo

Quantum Phase Estimation (QPE) is a cornerstone algorithm in quantum computing, with applications ranging from integer factorization to quantum chemistry simulations. However, the resource demands of standard QPE, which require a large…

Quantum Physics · Physics 2026-03-24 Alok Shukla , Prakash Vedula

The problem of developing an adaptive isogeometric method (AIGM) for solving elliptic second-order partial differential equations with truncated hierarchical B-splines of arbitrary degree and different order of continuity is addressed. The…

Numerical Analysis · Mathematics 2015-04-21 Annalisa Buffa , Carlotta Giannelli

Adaptive finite element methods are a powerful tool to obtain numerical simulation results in a reasonable time. Due to complex chemical and mechanical couplings in lithium-ion batteries, numerical simulations are very helpful to…

Numerical Analysis · Mathematics 2024-04-17 Raphael Schoof , Lennart Flür , Florian Tuschner , Willy Dörfler

A numerical method using implicit surface representations is proposed to solve the linearized Poisson-Boltzmann equations that arise in mathematical models for the electrostatics of molecules in solvent. The proposed method used an implicit…

Numerical Analysis · Mathematics 2018-04-04 Yimin Zhong , Kui Ren , Richard Tsai

This paper investigates an adaptive wavelet collocation time domain method for the numerical solution of Maxwell's equations. In this method a computational grid is dynamically adapted at each time step by using the wavelet decomposition of…

Numerical Analysis · Mathematics 2012-04-06 Haojun Li , Kirankumar R. Hiremath , Andreas Rieder , Wolfgang Freude

We propose an adaptive mesh refinement strategy for immersed isogeometric analysis, with application to steady heat conduction and viscous flow problems. The proposed strategy is based on residual-based error estimation, which has been…