Carl Timothy Kelley

A Quasi-Monte Carlo Method With Krylov Linear Solvers for Multigroup Neutron Transport Simulations

Pasmann, S., Variansyah, I., Kelley, C. T., & McClarren, R. (2023, January 13). NUCLEAR SCIENCE AND ENGINEERING, Vol. 1.

Adaptive basis sets for practical quantum computing

Kwon, H.-Y., Curtin, G. M. M., Morrow, Z., Kelley, C. T., & Jakubikova, E. (2023, April 5). INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 4.

Newton's Method in Mixed Precision

SIAM REVIEW, 64(1), 191–211.

ANDERSON ACCELERATION FOR A CLASS OF NONSMOOTH FIXED-POINT PROBLEMS

SIAM JOURNAL ON SCIENTIFIC COMPUTING, 43(5), S1–S20.

Efficient Approximation of Potential Energy Surfaces with Mixed-Basis Interpolation

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

Interpolation Methods for Molecular Potential Energy Surface Construction

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

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.

Mesh independence of the generalized Davidson algorithm

Journal of Computational Physics, 409, 109322.

Approximating Periodic Potential Energy Surfaces with Sparse Trigonometric Interpolation

The Journal of Physical Chemistry B, 123(45), 9677–9684.

Convergence of the EDIIS Algorithm for Nonlinear Equations

SIAM Journal on Scientific Computing, 41(1), A365–A379.

Molecular Dynamics Simulations on Relaxed Reduced-Dimensional Potential Energy Surfaces

The Journal of Physical Chemistry A, 123(21), 4543–4554.

Optimization of processor allocation for domain decomposed Monte Carlo calculations

Parallel Computing, 87, 77–86.

A Smoothing Direct Search Method for Monte Carlo-Based Bound Constrained Composite Nonsmooth Optimization

SIAM Journal on Scientific Computing, 40(4), A2174–A2199.

Modeling Nondilute Species Transport Using the Thermodynamically Constrained Averaging Theory

Water Resources Research, 54(9), 6656–6682.

Numerical methods for nonlinear equations

Acta Numerica, 27, 207–287.

Implicit Filtering and Hidden Constraints

In Advances and Trends in Optimization with Engineering Applications (pp. 507–508).

Implicit filtering and hidden constraints, in Advances and Trends in Optimization with Engineering Applications

In T. Terlaky, M. Anjos, & S. Ahmed (Eds.), MOS-SIAM Series on Optimization (Vol. 24, pp. 507–518). Philadelphia: SIAM.

Local Improvement Results for Anderson Acceleration with Inaccurate Function Evaluations

SIAM Journal on Scientific Computing, 39(5), S47–S65.

A Generally Applicable Calibration Algorithm for Digitally Reconfigurable Self-Healing RFICs

IEEE Transactions on Very Large Scale Integration (VLSI) Systems, 24(3), 1151–1164.

An assessment of coupling algorithms for nuclear reactor core physics simulations

JOURNAL OF COMPUTATIONAL PHYSICS, 311, 241–257.

A Sparse Interpolation Algorithm for Dynamical Simulations in Computational Chemistry

SIAM Journal on Scientific Computing, 37(5), S137–S156.

Analysis of Anderson acceleration on a simplified neutronics/thermal hydraulics system

Joint International Conference on Mathematics and Computation (M&C), Supercomputing in Nuclear Applications (SNA) and the Monte Carlo (MC) Method.

Convergence Analysis for Anderson Acceleration

SIAM Journal on Numerical Analysis, 53(2), 805–819.

Insights into the Spin-State Transitions in [Fe(tpy)2]2+: Importance of the Terpyridine Rocking Motion

Inorganic Chemistry, 54(23), 11259–11268.

Newton's Method for Monte Carlo--Based Residuals

SIAM Journal on Numerical Analysis, 53(4), 1738–1757.

Optimization with Hidden Constraints and Embedded Monte Carlo Computations

Optimization and Engineering.

Optimization with hidden constraints and embedded Monte Carlo computations

Optimization and Engineering, 17(1), 157–175.

A Hybrid Deterministic/Monte Carlo Method for Solving the k-Eigenvalue Problem with a Comparison to Analog Monte Carlo Solutions

Journal of Computational and Theoretical Transport, 43(1-7), 50–67.

Estimating Sampling Distributions of Apparent Thermal Diffusivity for Partially Saturated Soils

IEEE Trans. Geosci. Remote Sensing, 15.

HDMR applied to the 1-D, Single Speed Neutron Transport k-Eigenvalue Problem

Nuclear Science and Engineering, 177, 1–11.

High-Dimensional Model Representations for the Neutron Transport Equation

NUCLEAR SCIENCE AND ENGINEERING, 177(3), 350–360.

Reaction Path Following with Sparse Interpolation

Journal of Chemical Theory and Computation, 10(8), 2942–2949.

Sparse interpolatory reduced-order models for simulation of light-induced molecular transformations

Optimization Methods and Software, 29(2), 264–273.

A Bounded and Discretized Nelder-Mead Algorithm Suitable for RFIC Calibration

IEEE TRANSACTIONS ON CIRCUITS AND SYSTEMS I-REGULAR PAPERS, 60(7), 1787–1799.

A Hybrid Approach to the Neutron Transport k-Eigenvalue Problem using NDA-based Algorithms

Proceedings of International Conference on Mathematics and Computational Methods Applied to Nuclear Science & Engineering, 1934–1941.

An Efficient Parallel Solution to the Wigner-Poisson Equations

In F. Liu (Ed.), High Performance Computing Symposium (HPC 2013), Simulation Series Vol. 45, Society for Modeling & Simulation International (Vol. 45, pp. 773–780). Curran Associates Inc.

Efficient Solutions to the NDA-NCA Low-Order Eigenvalue Problem

Proceedings of International Conference on Mathematics and Computational Methods Applied to Nuclear Science & Engineering, 2725–2735.

Explicit Pseudo-Transient Continuation

Pacific J. Opt., Vol. 9, pp. 77–91.

Explicit pseudo-transient continuation

Pacific Journal of Optimization, 9(1), 77–91.

HYBRID DETERMINISTIC/MONTE CARLO NEUTRONICS

SIAM JOURNAL ON SCIENTIFIC COMPUTING, 35(5), S62–S83.

Hybrid Deterministic/Monte Carlo Neutronics

SIAM J. Sci. Comp., Vol. 35, pp. S62–S83.

Mechanism of Drug Action on Alzheimer's Disease Protein

Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis. Presented at the Denver CO. Denver CO: IEEE Computer Society Press.

Numerical simulation of water resources problems: Models, methods, and trends

ADVANCES IN WATER RESOURCES, 51, 405–437.

Patient-specific modeling of cardiovascular and respiratory dynamics during hypercapnia

Mathematical Biosciences, 241(1), 56–74.

Scalable Hybrid Deterministic/Monte Carlo Neutronics Simulations in Two Space Dimensions

2013 12TH INTERNATIONAL SYMPOSIUM ON DISTRIBUTED COMPUTING AND APPLICATIONS TO BUSINESS, ENGINEERING & SCIENCE (DCABES), pp. 7–10.

Steady states for chemical process plants: A legacy code, time-stepping approach

AICHE JOURNAL, 59(9), 3308–3321.

A Mathematical Biography of {Danny C. Sorensen}

LAA, 436, 2717–2724.

A mathematical biography of Danny C. Sorensen Preface

Benner, P., Embree, M., Lehoucq, R. B., & Kelley, C. T. (2012, April 15). LINEAR ALGEBRA AND ITS APPLICATIONS, Vol. 436, pp. 2717–2724.

Hybrid Deterministic/Monte Carlo Neutronics using GPU Accelerators

2012 11TH INTERNATIONAL SYMPOSIUM ON DISTRIBUTED COMPUTING AND APPLICATIONS TO BUSINESS, ENGINEERING & SCIENCE (DCABES), pp. 43–47.

Hybrid Deterministic/Monte Carlo Neutronics using GPU Accelerators

In Q. Guo & C. Douglas (Eds.), 2012 International Symposium on Distributed Computing and Applications to Business, Engineering and Science (pp. 43–47). Los Alamitos, CA: IEEE.

Inexact Levenberg-Marquardt with Reduced Order Models

Water Resources Research.

Research Spotlights: New Opportunities for SIAM Review Authors

SIAM News.

Simulations of Light-Induced Molecular Transformations in Multiple Dimensions with Incremental Sparse Surrogates

Journal of Algorithms & Computational Technology, 6(4), 577–592.

Simulations of Light-Induced Molecular Transformations in Multiple Dimensions with Incremental Sparse Surrogates

J. Algorithms Comp Tech, Vol. 6, pp. 577–592.

Sparse interpolatory reduced-order models for simulation of light-induced molecular transformations

Mokrauer, D., & Kelley, C. (2012, July). Optimization Methods and Software, Vol. 29, pp. 1–10.

Application of Proper Orthogonal Decomposition (POD) to inverse problems in saturated groundwater flow

ADVANCES IN WATER RESOURCES, 34(12), 1519–1526.

Application of a Modified Nelder-Mead Algorithm for calibrating RF Analog Integrated Circuits

Proceedings GOMACTech'11, 545–548.

Efficient Parallel Computation of Molecular Potential Energy Surfaces for the Study of Light-Induced Transition Dynamics in Multiple Coordinates

IEEE TRANSACTIONS ON NANOTECHNOLOGY, 10(1), 70–74.

FINDING A STABLE SOLUTION OF A SYSTEM OF NONLINEAR EQUATIONS ARISING FROM DYNAMIC SYSTEMS

JOURNAL OF INDUSTRIAL AND MANAGEMENT OPTIMIZATION, 7(2), 497–521.

Finding A Stable Solution of A System of Nonlinear Equations

J. Indus. Manag. Opt., 7, 497–521.

Implicit Filtering

Implicit Filtering

Philadelphia: SIAM.

Nonlinear Least Squares Problems and Subset Selection

SIAM J. Numer. Anal., 49, 1244–1266.

Patient specific modeling of cardiovascular and respiratory dynamics during hypercapnia

Mathematical Biosciences, Vol. 241, pp. 56–74.

RANK-DEFICIENT NONLINEAR LEAST SQUARES PROBLEMS AND SUBSET SELECTION

SIAM JOURNAL ON NUMERICAL ANALYSIS, 49(3), 1244–1266.

Users' Guide for imfil

Efficient Solution of the Wigner-Poisson Equation for Modeling Resonant Tunneling Diodes

IEEE Transactions on Nanotechnology, 9(6), 708–715.

Parallel Computation of Surrogate Models for Potential Energy Surfaces

In Q. Qingping & G. Yucheng (Eds.), 2010 International Symposium on Distributed Computing and Applications to Business, Engineering and Science (pp. 1–4). Los Alamitos, CA: IEEE.

Rank-Deficient and Ill-Conditioned Nonlinear Least Squares Problems

Special issue in Memory of Alexander Rubinov

Pacific Journal of Optimization, Vol. 6.

Calibration of Ground Water Models with {POD}

In M. Heinkenschloss, R. H. W. Hoppe, & V. Schultz (Eds.), Numerical Techniques for Optimization Problems with PDE constraints (pp. 47–49).

Combining Trust-Region Techniques and Rosenbrock Methods to Compute Stationary Points

JOURNAL OF OPTIMIZATION THEORY AND APPLICATIONS, 140(2), 265–286.

Combining Trust-Region Techniques and {R}osenbrock Methods for Gradient Systems

J. Optim. Theory Appl., 140, 265–286.

Convergence Analysis of Sampling Methods for Perturbed {L}ipschitz Functions

Pacific J. Opt., 5(2), 339–350.

ESTIMATION AND IDENTIFICATION OF PARAMETERS IN A LUMPED CEREBROVASCULAR MODEL

MATHEMATICAL BIOSCIENCES AND ENGINEERING, 6(1), 93–115.

More efficient optimization of long-term water supply portfolios

WATER RESOURCES RESEARCH, 45.

Pseudo-transient continuation for nonlinear transient elasticity

INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, 78(10), 1209–1219.

A Comparison of Derivative-Free Optimization Methods for Groundwater Supply and Hydraulic Capture Problems

Advances in Water Resources, 31, 743–757.

A continuous {N}ewton-type method for unconstrained optimization

Pacific Journal of Optimization, 4(2), 259–277.

Comparison of derivative-free optimization methods for groundwater supply and hydraulic capture community problems

ADVANCES IN WATER RESOURCES, 31(5), 743–757.

Estimation and identification of parameters in a lumped cerebrovascular model

Math. Biosci. Eng., 6, 93–115.

PROJECTED PSEUDOTRANSIENT CONTINUATION

SIAM JOURNAL ON NUMERICAL ANALYSIS, 46(6), 3071–3083.

Projected Pseudo-Transient Continuation

SIAM J. Numer. Anal., 46(6), 3071–3083.

Solutions of the optimized closure integral equation theory: Heteronuclear polyatomic fluids

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 4(3), 385–396.

A Case Study in Using Local {I/O} and {GPFS} to Improve Simulation Scalability

8th LCI International Conference on High-Performance Clustered Computing.

Analysis of A Scalable Preconditioner for the Wigner-Poisson Equation

International Journal of Pure and Applied Mathematics, 37, 247–270.

Condition estimates for pseudo-arclength continuation

SIAM JOURNAL ON NUMERICAL ANALYSIS, 45(1), 263–276.

Convergence Analysis of the {DIRECT} Algorithm

Additive scaling and the DIRECT algorithm

JOURNAL OF GLOBAL OPTIMIZATION, 36(4), 597–608.

Developing portfolios of water supply transfers

WATER RESOURCES RESEARCH, 42(5).

Model Reduction for Nonlinear Least Squares

Nonlinear multilevel iterative methods for multiscale models of air/water flow in porous media

Proceedings of Computational Methods in Water Resources XVI, Paper number 256, 8 pages.

Parallel Parameter Study of the {Wigner-Poisson} Equations for {RTDs}

Computers and Mathematics with Applications, 51, 1677–1688.

Parallel parameter study of the Wigner-Poisson equations for RTDs

Lasater, M. S., Kelley, C. T., Salinger, A. G., Woolard, D. L., & Zhao, P. (2006, June). COMPUTERS & MATHEMATICS WITH APPLICATIONS, Vol. 51, pp. 1677–1688.

Reduced order models for nonlinear least squares problems

Simulating Nanoscale Devices

In H. Iwai, Y. Nishi, M. S. Shur, & H. Wong (Eds.), International Journal of High Speed Electronics and Systems (Vol. 16, pp. 677–690). World Scientific.

Simulating Non-{D}arcy Flow through Porous Media using {S}undance

Proceedings of Computational Methods in Water Resources XVI, Paper number 148, 8 pages.

Spatially distributed stochastic systems: Equation-free and equation-assisted preconditioned computations

JOURNAL OF CHEMICAL PHYSICS, 125(20).

Using Water Transfers to Manage Supply Risk

Proceedings of Symposium on Safe Drinking Water: Where Science Meets Policy. Chapel Hill, NC.

{SETraNS} Manual: Simulation of Electronic Transport in Nanoscale Structures

Multilevel wavelet solver for the Ornstein-Zernike equation

(No. CRSC-TR05-07). North Carolina State University, Center for Research in Scientific Computation.

Pseudo-transient Continuation for Nonsmooth Nonlinear Equations

SIAM J. Numer. Anal., 43(4), 1385–1406.

Terahertz-Frequency Quantum Oscillator Operating in the Positive Differential Resistance Region

Proceedings of SPIE Defense and Security Symposium 2005: Terahertz for Military & Security Application III, paper number 5790-34, 5790, 289–300.

A Fast Algorithm for the {Ornstein-Zernike} Equations

J. Comp. Phys., 197, 491–591.

A Hydraulic Capture Application for Optimal Remeidation Design

In C. T. Miller, M. W. Farthing, W. G. Gray, & G. F. Pinter (Eds.), Proceedings of Computational Methods in Water Resources XV (pp. 1149–1158). Amsterdam: Elsevier.

A fast solver for the Ornstein-Zernike equations

JOURNAL OF COMPUTATIONAL PHYSICS, 197(2), 491–501.

Enhancement of Numerical Computations of the {W}igner-{P}oisson Equations for Application to the Simulation of {TH}z-Frequency {RTD} Oscillators

In J. O. Jensen & J.-M. Theriault (Eds.), Proceedings of SPIE: Chemical and Biological Standoff Detection II Volume 5584, paper number 07 (pp. 42–51).

Implicit Filtering Revisited

Parallel Solution of the {Wigner-Poisson} Equations for {RTDs}

In Q. Qingping (Ed.), 2004 International Symposium on Distributed Computing and Applications to Business, Engineering and Science (pp. 672–676). Wuhan, China: Hubei Science and Technology Press.

Simulation of Nondifferentiable Models for Groundwater Flow and Transport

In C. T. Miller, M. W. Farthing, W. G. Gray, & G. F. Pinter (Eds.), Proceedings of Computational Methods in Water Resources XV (pp. 939–952). Amsterdam: Elsevier.

Solution of a well-field design problem with implicit filtering

OPTIMIZATION AND ENGINEERING, 5(2), 207–234.

Convergence of iterative split-operator approaches for approximating nonlinear reactive transport problems

ADVANCES IN WATER RESOURCES, 26(3), 247–261.

Efficient steady-state solution techniques for variably saturated groundwater flow

ADVANCES IN WATER RESOURCES, 26(8), 833–849.

Electronic Supplement to ``{O}ptimal Design for Problems Involving Flow and Transport Phenomena in Saturated Subsurface Systems''

Globally Convergent Algorithms for Nonsmooth Nonlinear Equations in Computational Fluid Dynamics

J. Comp. Appl. Math., 152, 69–81.

Globally convergent algorithms for nonsmooth nonlinear equations in computational fluid dynamics

Coffey, T., McMullan, R. J., Kelley, C. T., & McRae, D. S. (2003, March 1). JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS, Vol. 152, pp. 69–81.

Implicit filtering and nonlinear least squares problems

In E. W. Sachs & R. Tichatschke (Eds.), System Modeling and Optimization XX (No. CRSC-TR01-17; pp. 71–90). Dordrecht: Kluwer Academic Publishers.

Implicit filtering and nonlinear least squares problems

In E. W. Sachs & R. Tichatschke (Eds.), System Modeling and Optimization XX (pp. 71–90). Dordrecht: Kluwer Academic Publishers.

Numerical Tools for the Study of Instabilities within the Positive-Differential-Resistance Regions of Tunnelling Devices

Proceedings of 2003 3nd IEEE Conference on Nanotechnology, San Francisco, CA, August 12--14, 2003, (CRSC-TR03-23), 390–393. IEEE.

Pseudotransient continuation and differential-algebraic equations

SIAM JOURNAL ON SCIENTIFIC COMPUTING, Vol. 25, pp. 553–569.

Solving Nonlinear Equations with Newton's Method

Philadelphia: SIAM.

Truncated Newton methods for optimization with inaccurate functions and gradients

JOURNAL OF OPTIMIZATION THEORY AND APPLICATIONS, 116(1), 83–98.

Versatile two-level Schwarz preconditioners for multiphase flow

COMPUTATIONAL GEOSCIENCES, 7(2), 91–114.

Higher Order, Locally Conservative, Temporal Integration Methods for Multiphase Flow in Porous Media

(No. CRSC-TR02-02). North Carolina State University, Center for Research in Scientific Computation.

Higher Order, Locally Conservative, Temporal Integration Methods for Multiphase Flow in Porous Media

In S. M. Hassanizadeh, R. J. Schotting, W. G. Gray, & G. F. Pinder (Eds.), Computational Methods in Water Resources XIV, Vol. 1 (pp. 249–256). Amsterdam: Elsevier.

Nonsmooth Nonlinearities and Temporal Integration of {R}ichards' Equation

In S. M. Hassanizadeh, R. J. Schotting, W. G. Gray, & G. F. Pinder (Eds.), Computational Methods in Water Resources XIV, Vol. 2 (pp. 947–954). Amsterdam: Elsevier.

Optimal Design for Problems Involving Flow and Transport Phenomena in Saturated Subsurface Systems

Advances in Water Resources, 12, 1233–1256.

Optimal design for problems involving flow and transport phenomena in saturated subsurface systems

[Review of ]. ADVANCES IN WATER RESOURCES, 25(8-12), 1233–1256.

Parallel-Platform Based Numerical Simulation of Instabilities in Nanoscale Tunneling Devices

Proceedings of 2002 2nd IEEE Conference on Nanotechnology, Washington DC, August 26-28, 2002, 417–421. IEEE.

Pseudo-Transient Continuation and Differential-Algebraic Equations

In SIAM J. Sci. Comp. (No. CRSC-TR02-18; Vol. 25, pp. 553–569). North Carolina State University, Center for Research in Scientific Computation.

Solution of A Groundwater Control Problem with Implicit Filtering

Optimization and Engineering, 3, 189–199.

A locally-biased form of the DIRECT algorithm

JOURNAL OF GLOBAL OPTIMIZATION, 21(1), 27–37.

Algorithms for Noisy Problems in Gas Transmission Pipeline Optimization

Optimization and Engineering, 2, 139–157.

An Aggregation-based Domain Decomposition Preconditioner for Groundwater Flow

SIAM J. Sci. Comp., 23, 430–441.