Recent publications: Contact me for preprints.

J. P. Morgan, I. Variansyah, S. Pasmann, K. B. Clements, B. Cuneo, A. Mote, C. Goodman, C. Shaw, J. Northrop, R. Pankaj, E. Lame, B. Whewell, R. McClarren, T. S. Palmer, L. Chen, D. Anistratov, C. T. Kelley, C. Palmer, and K. E. Niemeyer,
Monte Carlo / Dynamic Code (MC/DC): An accelerated Python package for fully transient neutron transport and rapid methods development ,
Journal of Open Source Software, (2024). doi:0.21105/joss.06415, 2024. Published online April 2024 .

S. Pasmann, I. Variansyah, C. T. Kelley, and R. McClarren A quasi-Monte Carlo method with Krylov linear solvers for multigroup neutron transport simulations, Nuclear Science and Engineering, (2023). doi:10.1080/00295639.2022.2143704.
Published online Jan 12, 2023.

C. T. Kelley, Newton's Method in Mixed Precision
SIAM Review, 64 (2022), pp. 191--211. doi:10.1137/20M1342902

Z. Morrow, H-Y. Kwon, C. T. Kelley, and E. Jakubikova Efficient Approximation of Potential Energy Surfaces with Mixed-Basis Interpolation ,
J. Chem. Th. Comput. (2021) doi:10.1021/acs.jctc.1c00569

Z. Morrow, H-Y. Kwon, C. T. Kelley, and E. Jakubikova Reduced-dimensional surface hopping with offline–online computations ,
Phys Chem Chem Phys (2021) doi:10.1039/D1CP03446D

H-Y. Kwon, Z. Morrow, E. Jakubikova, and C. T. Kelley Interpolation Methods for Molecular Potential Energy Surface Construction ,
J. Phys. Chem. A (2021) doi:10.1021/acs.jpca.1c06812

W. Bian and X. Chen and C. T. Kelley Anderson Acceleration for a Class of Nonsmooth Fixed-Point Problems
SIAM J. Sci. Comp. (2021) doi:10.1137/20M132938X

C. T. Kelley, J. Bernholc, E. Briggs, S. P. Hamilton, L. Lin and C. Yang Mesh-Independence of the Generalized Davidson Algorithm
J. Comp. Phys., 409 (2020), doi:10.1016/j.jcp.2020.109322

Z. Morrow, C. Liu, C. T. Kelley, and E. Jakubikova, Approximating potential energy surfaces with sparse trigonometric interpolation,
J. Phys. Chem. B, 123 (2019), pp. 9677--9684. doi:10.1021/acs.jpcb.9b08210

J. A. Ellis, T. Evans, S. Hamilton, C. T. Kelley, and T. M. Pandya Optimization of processor allocation for domain decomposed Monte Carlo calculations
J. Parallel Comp., 87 (2019), pp. 77-96. doi:10.1016/j.parco.2019.06.001

Z. Morrow, H-Y. Kwon, C. T. Kelley, and E. Jakubikova Efficient Approximation of Potential Energy Surfaces with Mixed-Basis Interpolation ,
J. Chem. Th. Comput. (2021) doi:10.1021/acs.jctc.1c00569

Z. Morrow, H-Y. Kwon, C. T. Kelley, and E. Jakubikova Reduced-dimensional surface hopping with offline–online computations ,
Phys Chem Chem Phys (2021) doi:10.1039/D1CP03446D

H-Y. Kwon, Z. Morrow, E. Jakubikova, and C. T. Kelley Interpolation Methods for Molecular Potential Energy Surface Construction ,
J. Phys. Chem. A (2021) doi:10.1021/acs.jpca.1c06812

C. Liu, C. T. Kelley, and E. Jakubikova Molecular dynamics simulations on relaxed reduced-dimensional potential energy surfaces
J. Chem. Th. and Comp. doi:10.1021/acs.jpca.9b02298 Published online May 16, 2019.

X. Chen and C. T. Kelley, Analysis of the EDIIS Algorithm
SIAM J. Sci. Comp., 41 (2019), pp. A365-A379. doi:10.1137/18M1171084

T.M. Weigand, P.B. Schultz, D.H. Giffen, M.W. Farthing, A. Crockett, C.T. Kelley, W.G. Gray, and C.T. Miller, Modeling Non-Dilute Species Transport Using the Thermodynamically Constrained Averaging Theory
Water Resources Research, 54 (2019), pp. 6656-6682. doi:10.1029/2017WR022471

X. Chen, C. T. Kelley, F. Xu, and Z. Zhang, A smoothing direct search method for Monte Carlo-based constrained nonsmooth nonconvex optimization,
SIAM J. Sci. Comp., 40 (2018), pp. A2174-A2199. doi:10.1137/17M1116714.

C. T. Kelley, Numerical methods for nonlinear equations,
Acta Numerica, 27 (2018), pp. 207-287. doi:10.1017/S0962492917000113.

A. Toth, J. A. Ellis, T. Evans, S. Hamilton, C. T. Kelley, R. Pawlowski, and S. Slattery, Local improvement results for Anderson acceleration with inaccurate function evaluations,
SIAM J. Sci. Comp., 39 (2017), pp. S47-S65. doi:10.1137/16M1080677.

Implicit Filtering and Hidden Constraints
Chapter 38 in Advances and Trends in Optimization with Engineering Applications, Tamas Terlaky, Miguel Anjos and Shabbir Ahmed, eds" SIAM, Philadelphia, 2017, pp. 507-508,

X. Chen and C. T. Kelley, Optimization with hidden constraints and embedded Monte Carlo computations,
Optimization and Engineering, 17 (2016), pp. 157-175. doi:10.1007/s11081-015-9302- 1.

E. J. Wyers and M. A. Morton and G. Soller and C. T. Kelley and P. D. Franzon, A Generally Applicable Calibration Algorithm for Digitally Reconfigurable Self-Healing RFICs
IEEE Trans on VLSI Systems, 24 (2016), pp. 1151-1164. doi:10.1109/TVLSI.2015.2424211.

J. Nance, D. Bowman, S. Mukherjee, C. T. Kelley, and E. Jakubikova, New insights into the spin-state transitions in [Fe(tpy) ] +: Importance of the terpyridine rocking motion
, Inorganic Chemistry, 54 (2015), pp. 11259-11268. doi:10.1021/acs.inorgchem.5b01747.

J. Nance and C. T. Kelley, A Sparse Interpolation Algorithm for Dynamical Simulations in Computational Chemistry,
SIAM J. Sci. Comp, 27 (2015) pp. S237-S156. doi:10.1137/140965284.

J. Nance, E. Jakubikova, and C. T. Kelley, Reaction Path Following with Sparse Interpolation
J. Chem. Th. Comp., 10 (2015) pp. 2942-2949. doi=10.1021/ct5004669.

A. Toth and C. T. Kelley, Convergence Analysis for Anderson Acceleration
SIAM J. Numer. Anal, 53 (2015), pp 805-819.

J. Willert, X. Chen, and C. T. Kelley, Newton's Method for Monte Carlo-Based Residuals
SIAM J. Numer. Anal., 53 (2015), pp. 1738-1757. doi:10.1137/130905691.

J. Willert, C. T. Kelley, D. Knoll, and H. K. Park, A Hybrid Deterministic/Monte Carlo Method for Solving the k-Eigenvalue Problem with a Comparison to Analog Monte Carlo Solutions<\em>,
J. Comp. Th. Transport, 2014. 18 pages, published electronically Aug 2014, doi=10.1080/00411450.2014.910225

Z. Hu, R. Smith, J. Willert, and C. T. Kelley, HDMR applied to the 1-D, Single Speed Neutron Transport k-Eigenvalue Problem,
Nuclear Sci Eng., 177 (2014), pp 1-11.

J. Willert, C. T. Kelley, D. Knoll, and H. K. Park, Hybrid Deterministic/Monte Carlo Neutronics,
SIAM, J. Sci. Comp., 35 (2014), pp S62--S83.

E. J. Wyers, M. B. Steer, C. T. Kelley, and P. D. Franzon, A Bounded and Discretized Nelder-Mead Algorithm Suitable for RFIC Calibration,
IEEE Trans Cir Sys, 60 (2013), pp 1787-1799.

A. S. Costolanski, C. T. Kelley, G. W. Howell, and A. G. Salinger, An Efficient Parallel Solution to the Wigner-Poisson Equations,
High Performance Computing Symposium (HPC 2013), Simulation Series Vol 45, ociety for Modeling \& Simulation International, F. Liu, ed, Curran Associates Inc, April 2013, 773-780.

J. Willert, C. T. Kelley, D. A. Knoll, and H. K. Park, 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, 2013, 1934--1941.

J. Willert and C. T. Kelley, Efficient Solutions to the NDA-NCA Low-Order Eigenvalue Problem ,
Proceedings of International Conference on Mathematics and Computational Methods Applied to Nuclear Science & Engineering, 2013, 2725-2735.

C. T. Kelley and L-Z. Liao, Explicit Pseudo-Transient Continuation ,
Pacific Journal of Optimzation, 9 (2013), 77-91.

L. M. Ellwein, S. R. Pope, A. Xie, J. Batzel, C. T. Kelley, and M. S. Olufsen, Patient specific modeling of cardiovascular and respiratory dynamics during hypercapnia.
Math Biosci, 241, 2013, 56-74.

C. T. Miller, C. N. Dawson, M. W. Farthing, T. Y. Hou, J. Huang, C. E. Kees, C. T. Kelley, and H. P. Langtangen, Numerical simulation of water resources problems: Models, methods, and trends,
Advances in Water Resources, 51 (2012), 403-437.

C. T. Kelley and D. Mokrauer, Sparse interpolatory reduced-order models for simulation of light-induced molecular transformations ,
Optimization Methods and Software, 2012, doi=10.3182/20090812-3-DK-2006.0088

David Mokrauer, C. T. Kelley, and Alexei Bykhovski, Simulations of Light-Induced Molecular Transformations in Multiple Dimensions with Incremental Sparse Surrogates
J. Algorithms and Computational Technology, 6 (2012), 577-592.

C. T. Kelley, Implicit Filtering, no. 23 in Software Environments and Tools, SIAM, Philadelphia, 2011.

E. J. Wyers, M. B. Steer, C. T. Kelley, and P. D. Franzon, Application of a Modified Nelder-Mead Algorithm for calibrating RF Analog Integrated Circuits
Proceedings GOMACTech'11, 2011, 545-548.

C. Winton, J. Pettway, C. T. Kelley, S. E Howington, and O. J. Eslinger,
Application of Proper Orthogonal Decomposition (POD) to Inverse Problems in Saturated Groundwater Flow,
Advances in Water Resources, 34, 2011, 1519-1526.

Finding A Stable Solution of A System of Nonlinear Equations
C. T. Kelley, L. Qi, X. Tong, and H. Yin.
Journal of Industrial and Management Optimization, 7, 2011, 497-521.

I. C. F. Ipsen and C. T. Kelley and S. R. Pope, Nonlinear Least Squares Problems and Subset Selection, SIAM J. Numer. Anal, 49, 2011, 1244-1266.

David Mokrauer, C. T. Kelley, and Alexei Bykhovski, Efficient Parallel Computation of Molecular Potential Surfaces for Optimization,
IEEE Transactions on Nanotechnology, 10, 2011, 70-74.

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Recent Preprints (available on request)

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Last modified: July 10, 2011.