Center for Research in Scientific Computation

Works Published in 2021

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Displaying works 1 - 20 of 34 in total

Sorted by most recent date added to the index first, which may not be the same as publication date order.

2021 book

An Introduction to Partial Differential Equations (with Maple)

By: Z. Li n & L. Norris n

Source: Crossref
Added: November 21, 2022

2021 article

Numerical Solution of 3D Unsteady Scattering Problems with Sub-linear Complexity

2021 INTERNATIONAL APPLIED COMPUTATIONAL ELECTROMAGNETICS SOCIETY SYMPOSIUM (ACES).

By: S. Petropavlovsky*, S. Tsynkov n & E. Turkel*

author keywords: method of difference potentials; Huygens' principle; 3D wave equation
TL;DR: An efficient high order accurate boundary algorithm for the numerical solution of unsteady exterior initial boundary problems for the three-dimensional wave equation using the method of difference potentials combined with the Huygens' principle is presented. (via Semantic Scholar)
Sources: Web Of Science, ORCID
Added: December 20, 2021

2021 article

Optimal convergence of three iterative methods based on nonconforming finite element discretization for 2D/3D MHD equations

Xu, J., Su, H., & Li, Z. (2021, November 13). NUMERICAL ALGORITHMS, Vol. 11.

By: J. Xu*, H. Su* & Z. Li n

author keywords: Incompressible magneto-hydrodynamics equations; Nonconforming finite element; Iterative method; Stability; Optimal error estimate
Sources: Web Of Science, ORCID
Added: November 23, 2021

2021 article

A MATHEMATICAL PERSPECTIVE ON RADAR INTERFEROMETRY

Gilman, M., & Tsynkov, S. (2021, July). INVERSE PROBLEMS AND IMAGING, Vol. 7.

By: M. Gilman* & S. Tsynkov*

author keywords: Inverse scattering; synthetic aperture radar (SAR); interferogram; phase difference; height retrieval; imaging operator; point scatterer; extended scatterer; coherence
Sources: Web Of Science, ORCID
Added: November 23, 2021

2021 article

The maximum entropy method for data fusion and uncertainty quantification in multifunctional materials and structures

Gao, W., Miles, P. R., Smith, R. C., & Oates, W. S. (2021, October 8). JOURNAL OF INTELLIGENT MATERIAL SYSTEMS AND STRUCTURES, Vol. 10.

By: W. Gao*, P. Miles n, R. Smith n & W. Oates*

author keywords: Maximum entropy; data fusion; uncertainty quantification; dielectric elastomer membrane; ferroelectric domain wall
TL;DR: The Maximum Entropy (ME) method is applied to more complicated ferroelectric single crystals containing domain structures and soft electrostrictive membranes under both mechanical and electrical loading and finds that parameters, which were initially unidentifiable using a single quantity of interest, become identifiable using multiple quantities of interest. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID
Added: November 8, 2021

2021 journal article

Interpolation Methods for Molecular Potential Energy Surface Construction

JOURNAL OF PHYSICAL CHEMISTRY A, 125(45), 9725–9735.

TL;DR: This article serves as a short overview of interpolative methods for the PES construction, including global polynomial interpolations, trigonometric interpolation, modified Shepard interpolation), interpolative moving least-squares, and the automated PESConstruction derived from these. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Sources: ORCID, Web Of Science
Added: November 4, 2021

2021 journal article

Hybrid Multifluid Algorithms Based on the Path-Conservative Central-Upwind Scheme

JOURNAL OF SCIENTIFIC COMPUTING, 89(2).

By: A. Chertock n, S. Chu* & A. Kurganov*

author keywords: Path-conservative scheme; Central-upwind scheme; Compressible multifluids; Pressure evolution model
Sources: Web Of Science, ORCID
Added: October 26, 2021

2021 journal article

Solution of three-dimensional multiple scattering problems by the method of difference potentials

WAVE MOTION, 107.

author keywords: Time-harmonic waves; Unbounded domain; Helmholtz equation; Finite differences; High-order accuracy; Scattering objects; Cartesian grid; Non-conforming boundary; Artificial outer boundary; BGT radiation condition
Sources: Web Of Science, ORCID
Added: October 4, 2021

2021 journal article

Deep learning and regression approaches to forecasting blood glucose levels for type 1 diabetes

BIOMEDICAL SIGNAL PROCESSING AND CONTROL, 69.

author keywords: Neural networks; Regression; Encoder decoder; Time series forecasting; Diabetes
TL;DR: A neural network model using an encoder-decoder architecture has the most stable performance and is able to recover missing dynamics in short time intervals and may enable a feasible solution with low computational cost for the time-dependent adjustment of artificial pancreas for diabetes patients. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID
Added: August 30, 2021

2021 article

Reduced-dimensional surface hopping with offline-online computations

Morrow, Z., Kwon, H.-Y., Kelley, C. T., & Jakubikova, E. (2021, August 19). PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 8.

TL;DR: This work describes a method for surface hopping that uses only important reaction coordinates, performs all expensive evaluations of the true PESs and couplings only once before simulating dynamics (offline), and then queries the stored values during the surface hopping simulation (online). (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Sources: ORCID, Web Of Science
Added: August 27, 2021

2021 journal article

Efficient Approximation of Potential Energy Surfaces with Mixed-Basis Interpolation

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 17(9), 5673–5683.

TL;DR: This method is the only known interpolative method that appropriately conserves total energy in systems with both periodic and nonperiodic reaction coordinates and is applied to MD simulations of possible isomerization pathways of azomethane between cis and trans conformers. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Sources: ORCID, Web Of Science
Added: August 6, 2021

2021 journal article

A High Order Compact FD Framework for Elliptic BVPs Involving Singular Sources, Interfaces, and Irregular Domains

JOURNAL OF SCIENTIFIC COMPUTING, 88(3).

By: K. Pan*, D. He* & Z. Li n

author keywords: Elliptic BVP; Interface problem; Irregular domain; High order compact Cartesian mesh method; IIM & augmented IIM; Discontinuous coefficients; Gradient; Helmholtz equation
TL;DR: An augmented third order compact finite difference method is further developed for elliptic interface problems with piecewise constant but discontinuous coefficients and the third order augmented method is applied to Poisson/Helmholtz equations on irregular domains with few changes along examples of Neumann, Robin, and Dirichlet boundary conditions. (via Semantic Scholar)
Sources: ORCID, Web Of Science
Added: July 29, 2021

2021 journal article

Topological data analysis distinguishes parameter regimes in the Anderson-Chaplain model of angiogenesis

PLOS COMPUTATIONAL BIOLOGY, 17(6).

MeSH headings : Algorithms; Animals; Blood Vessels / anatomy & histology; Blood Vessels / growth & development; Blood Vessels / physiology; Chemotaxis; Computational Biology; Computer Simulation; Humans; Models, Cardiovascular; Neoplasms / blood supply; Neovascularization, Pathologic; Neovascularization, Physiologic; Spatio-Temporal Analysis
TL;DR: This work simulates the Anderson-Chaplain model of angiogenesis at different parameter values, and proposes a topological data analysis (TDA) pipeline for systematic analysis of the model and shows that TDA of model simulation data stratifies parameter space into regions with similar vessel morphology. (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: Web Of Science
Added: July 19, 2021

2021 journal article

Acceleration Technique for the Augmented IIM for 3D Elliptic Interface Problems

NUMERICAL MATHEMATICS-THEORY METHODS AND APPLICATIONS, 14(3), 773–796.

By: C. Zhang, Z. Li & X. Yue

author keywords: 3D elliptic interface problem; augmented IIM; fast Poisson solver; directional least squares interpolation
TL;DR: A new fast algorithm based on the augmented immersed interface method and a fast Poisson solver is proposed to solve three dimensional elliptic interface problems with a piecewise constant but discontinuous coefficient and can reduce the CPU time by 20-50%. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Sources: Web Of Science, ORCID
Added: July 6, 2021

2021 article

Development of a novel test method for the measurement of fuzz in nonwovens

Kim, E., Nelson, D. A., & Pourdeyhimi, B. (2021, June 6). JOURNAL OF THE TEXTILE INSTITUTE.

By: E. Kim n, D. Nelson & B. Pourdeyhimi n

author keywords: Fuzz; spunbond; thermal bonding; nonwovens; measurement method
Source: Web Of Science
Added: June 21, 2021

2021 journal article

SURROGATE BASED MUTUAL INFORMATION APPROXIMATION AND OPTIMIZATION FOR URBAN SOURCE LOCALIZATION

INTERNATIONAL JOURNAL FOR UNCERTAINTY QUANTIFICATION, 11(5), 39–55.

By: A. Hollis n, R. Smith n & A. Wilson n

author keywords: computational statistics; information theory; bayesian inference; spatial statistics
UN Sustainable Development Goal Categories
11. Sustainable Cities and Communities (Web of Science; OpenAlex)
Sources: Web Of Science, ORCID
Added: June 21, 2021

2021 journal article

A hierarchical Bayesian model for background variation in radiation source localization

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT, 1002.

By: I. Michaud*, K. Schmidt n, R. Smith n & J. Mattingly n

author keywords: Mixed-effects statistical model; Radiation detection; Inverse problem; Bayesian inference; Wide-area search
TL;DR: A hierarchical Bayesian model is presented that simultaneously infers background and source location parameters without requiring separate estimation of the background radiation at each detector location. (via Semantic Scholar)
UN Sustainable Development Goal Categories
11. Sustainable Cities and Communities (OpenAlex)
Sources: Web Of Science, ORCID
Added: June 10, 2021

2021 article

A generalized modulus-based Newton method for solving a class of non-linear complementarity problems with P-matrices

Li, R., Li, Z.-L., & Yin, J.-F. (2021, June 3). NUMERICAL ALGORITHMS, Vol. 6.

By: R. Li*, Z. Li n & J. Yin*

author keywords: Non-linear complementarity problems; Modulus-based Newton methods; P-matrix
Sources: Web Of Science, ORCID
Added: June 10, 2021

2021 journal article

Uncertainty Quantification and Sensitivity Analysis of Partial Charges on Macroscopic Solvent Properties in Molecular Dynamics Simulations with a Machine Learning Model

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 61(4), 1745–1761.

By: J. Peerless n, A. Kwansa n, B. Hawkins n, R. Smith n & Y. Yingling n

MeSH headings : Machine Learning; Molecular Dynamics Simulation; Solvents; Static Electricity; Uncertainty
TL;DR: The results indicate that the effect of partial charge variance on bulk properties, such as solubility parameters, diffusivity, dipole moment, and density, measured from MD simulations is significant; however, measured properties are observed to be less sensitive to partial charges of less accessible atoms. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID
Added: May 24, 2021

2021 journal article

Fourth order compact FD methods for convection diffusion equations with variable coefficients

APPLIED MATHEMATICS LETTERS, 121.

By: F. Tong*, X. Feng* & Z. Li n

author keywords: Convection and diffusion PDEs; Integrating factor; 4th order compact scheme
TL;DR: Fourth order finite difference methods combined with an integrating factor strategy for steady convection and diffusion partial differential equations with variable coefficients in both 2D and 3D are proposed using uniform Cartesian grids. (via Semantic Scholar)
Sources: ORCID, Web Of Science
Added: May 17, 2021

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