These are my 64 academic publications. You can see who's citing them on Google Scholar or Semantic Scholar.


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Cantera ChemKED GPUs Monte Carlo ODEs atmospheric chemistry biogeochemistry chemical kinetics computational fluid dynamics diffusion direct numerical simulation domain decomposition exascale experimental measurements feedstock to function finite element analysis integrators linear algebra live fuels machine learning manufacturing model reduction neutron transport nuclear reactors numerical methods ocean parameter databases reduction algorithms smoldering sustainable aviation fuels swept rule turbulence turbulent flames vacuum arc remelting vectorization wildfire

2024

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Skyler Kern, Mary E. McGuinn, Katherine M. Smith, Nadia Pinardi, Kyle E. Niemeyer, Nicole S. Lovenduski, Peter Hamlington (2024)
Computationally efficient parameter estimation for high-dimensional ocean biogeochemical models
Geoscientific Model Development
Shows a method for optimizing parameters for biogeochemical models based on ocean observations.
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Joanna P. Morgan, Ilham Variansyah, Samuel Pasmann, Kayla B. Clements, Braxton Cuneo, Alexander Mote, Charles Goodman, Caleb Shaw, Jordan Northrop, Rohan Pankaj, Ethan Lame, Benjamin Whewell, Ryan McClarren, Todd S. Palmer, Lizhong Chen, Dmitriy Anistratov, C. T. Kelley, Camille Palmer, Kyle E. Niemeyer (2024)
Monte Carlo / Dynamic Code (MC/DC): An accelerated Python package for fully transient neutron transport and rapid methods development
Journal of Open Source Software
Introduces MC/DC, a Python-based software package for modeling transient (i.e., time-dependent) neutron transport that performs well on exascale-class high-performance computing systems.
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Joanna P. Morgan, Alexander Mote, Samuel L. Pasmann, Gavin Ridley, Todd S. Palmer, Kyle E. Niemeyer, Ryan McClarren (2024)
The Monte Carlo Computational Summit - October 25 & 26, 2023 - Notre Dame, Indiana, USA
Journal of Computational and Theoretical Transport
Summarizes discussions held at the 2023 Monte Carlo Computational Summit.
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Diba Behnoudfar, Kyle E. Niemeyer (2024)
A physics-based ignition model with detailed chemical kinetics for live fuel burning studies
Combustion and Flame
Introduces a physics-based model for simulating ignition of live fuels (like trees and shrubs), that considers detailed models for fuel chemistry.
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Benjamin D. Smucker, W. Jayani Jayasuriya, Kyle E. Niemeyer, David Blunck (2024)
Influence of lignin on smoldering propagation
Combustion and Flame
Uses experiments and simulations to show how greater amounts of lignin in woody fuels slows down smouldering combustion.
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Diba Behnoudfar, Kyle E. Niemeyer (2024)
Investigating a single-domain approach for modeling coupled porous solid-fluid systems: applications in buoyant reacting plume formation and ignition

Demonstrates a single-domain method for simulating reacting fluid flows through and across interfaces between porous media and fluid regions.
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Joanna P. Morgan, Ilham Variansyah, Braxton Cuneo, Todd S. Palmer, Kyle E. Niemeyer (2024)
Performance Portable Monte Carlo Neutron Transport in MCDC via Numba

Discusses how we used Python and Numba to rapidly develop a high-performance, open-source software tool for accurately modeling neutron transport through space and time.
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Ana E. Comesana, Sharon Chen, Kyle E. Niemeyer, Vi Rapp (2024)
A structured framework for predicting sustainable aviation fuel properties using liquid-phase FTIR and machine learning

Presents a strategy for building models using machine learning to predict properties of liquid fuel blends, based on measurements of FTIR spectra.
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2023Sabbatical (Winter/Spring); ended AAAS Fellowship in December; returned to Corvallis and began AHUG position

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Kyle E. Niemeyer, Meegan Kelly (2023)
Right Onsite: Accelerating deployment of onsite clean energy technology in the industrial sector
2023 ACEEE Summer Study on Energy Efficiency in Industry
Discusses the current state of onsite clean energy systems in the US industrial sector, needs and barriers, and strategies the US Department of Energy is taking to accelerate adoption.
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Parker Johnson, Michael Zingale, Eric T. Johnson, Alexander Smith, Kyle E. Niemeyer (2023)
A Fully Explicit Integrator for Modeling Astrophysical Reactive Flows
Research Notes of the AAS
Shows the Runge-Kutta-Chebyshev method efficiently integrates reactions in astrophysical reactive flows, such as simulations of X-ray bursts.
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Anthony S. Walker, Raymond L. Speth, Kyle E. Niemeyer (2023)
Generalized preconditioning for accelerating simulations with large kinetic models
Proceedings of the Combustion Institute
Extends a method to speed up chemistry simulations in Cantera, by preconditioning and sparse linear algebra operations.
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Ilham Variansyah, Joanna P. Morgan, Jordan Northrop, Kyle E. Niemeyer, Ryan G. McClarren (2023)
Development of MC/DC: a performant, scalable, and portable Python-based Monte Carlo neutron transport code
International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering
Verifies and demonstrates MC/DC (Monte Carlo Dynamic Code) code for simulating transient neutron transport.
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Joanna P. Morgan, Travis J. Trahan, Timothy P. Burke, Colin J. Josey, Kyle E. Niemeyer (2023)
Hybrid-Delta Tracking on a Structured Mesh in MCATK
International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering
Demonstrates performance of hybrid delta tracking for surfaces in the Monte Carlo Application Toolkit.
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Joanna P. Morgan, Ilham Variansyah, Todd S. Palmer, Kyle E. Niemeyer (2023)
Exploring One-Cell Inversion Method for Transient Transport on GPU
International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering
Introduces a new iterative scheme for deterministic neutron transport modeling, one-cell inversion, that offers high performance on GPUs.
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2022Sabbatical (Fall); began AAAS STP Fellowship in DC @ DOE

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W. Jayani Jayasuriya, Tejas C. Mulky, Kyle E. Niemeyer (2022)
Smouldering combustion in cellulose and hemicellulose mixtures: Examining the roles of density, fuel composition, oxygen concentration, and moisture content
Combustion Theory and Modelling
Examines the roles of some key physical parameters on smoldering combustion in cellulose and hemicelluose mixtures, relevant to fuels in wildland fires; shows how fuel composition changes critical moisture content of ignition and extincion.
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Aaron J. Fillo, Peter Hamlington, Kyle E. Niemeyer (2022)
Assessing diffusion model impacts on enstrophy and flame structure in turbulent lean premixed flames
Combustion Theory and Modelling
Shows that choice of diffusion model noticably impacts both turbulence dynamics (shown with the enstrophy, or vorticity magnitude) and flame structure.
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Ana E. Comesana, Tyler T. Huntington, Corinne D. Scown, Kyle E. Niemeyer, Vi Rapp (2022)
A systematic method for selecting molecular descriptors as features when training models for predicting physiochemical properties
Fuel
Presents a new approach for identifying which pieces of information about molecules should be used when training machine-learning models to predict properties, and demonstrates models for predicting properties relevant to biofuels.
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Nicholas Curtis, Kyle E. Niemeyer, Chih-Jen Sung (2022)
Accelerating reactive-flow simulations using vectorized chemistry integration
Computer Physics Communications
Presents an approach to reducing the cost of simulating reacting fluid flows using vectorization of the chemistry integration.
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Joanna P. Morgan, Todd S. Palmer, Kyle E. Niemeyer (2022)
Explorations of Python-Based Automatic Hardware Code Generation for Neutron Transport Applications
Transactions of the American Nuclear Society
Examines techniques for using Python libraries to easily parallelize a Monte Carlo neutron transport solver on large-scale high performance computing systems.
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Joanna P. Morgan, Alex Long, Kendra Long, Kyle E. Niemeyer (2022)
Novel MC TRT Method: Vectorizable Variance Reduction for Energy Spectra
Transactions of the American Nuclear Society
Presents a method for reducing the statistical variance in thermal radiation transport solver to better-resolve energy spectra at lower computational cost.
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2021COVID-19; began as ME Undergraduate Program Coordinator

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Katherine M. Smith, Skyler Kern, Peter Hamlington, Marco Zavatarelli, Nadia Pinardi, Emily Klee, Kyle E. Niemeyer (2021)
BFM17 v1.0: Reduced-Order Biogeochemical Flux Model for Upper Ocean Biophysical Simulations
Geoscientific Model Development
Presents a novel reduced model for biogeochemistry that can be used in expensive, highly accurate simulations of the upper ocean.
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Anthony S. Walker, Kyle E. Niemeyer (2021)
Applying the swept rule for solving two-dimensional partial differential equations on heterogeneous architectures
Mathematical and Computational Applications
Extends the swept rule for domain decomposition to working on heterogeneous combinations of CPUs and GPUs, for solving two-dimensional partial differential equations.
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Aaron J. Fillo, Jason Schlup, Guillaume Blanquart, Kyle E. Niemeyer (2021)
Assessing the impact of multicomponent diffusion in direct numerical simulations of premixed, high-Karlovitz, turbulent flames
Combustion and Flame
Shows that the choice of diffusion model matters in simulations of turbulent flames, comparing the commonly used mixture-averaged model to the accurate but more expensive multicomponent model.
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Dan Magee, Anthony S. Walker, Kyle E. Niemeyer (2021)
Applying the swept rule for solving explicit partial differential equations on heterogeneous computing systems
Journal of Supercomputing
Extends the swept rule for domain decomposition to working on heterogeneous combinations of CPUs and GPUs, and shows that the method can lead to performance benefits or downsides depending on the configuration.
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2020Promoted to Associate Professor and received tenure; COVID-19

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Aaron J. Fillo, Jason Schlup, Guillaume Beardsell, Guillaume Blanquart, Kyle E. Niemeyer (2020)
A fast, low-memory, and stable algorithm for implementing multicomponent transport in direct numerical simulations
Journal of Computational Physics
Introduces a method for efficiently implementing accurate multicomponent diffusion models in high-fidelity computational fluid dynamics simulations of reacting turbulent flows.
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2019

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Rolf Sander, Andreas Baumgaertner, David Cabrera-Perez, Franziska Frank, Sergey Gromov, Jens-Uwe Grooß, Hartwig Harder, Vincent Huijnen, Patrick Jöckel, Vlassis A. Karydis, Kyle E. Niemeyer, Andrea Pozzer, Hella Riede, Martin G. Schultz, Domenico Taraborrelli, Sebastian Tauer (2019)
The community atmospheric chemistry box model CAABA/MECCA-4.0
Geoscientific Model Development
Presents an updated version of a model for atmospheric chemistry, including the capability of reducing the model using a method adapted from the combustion literature.
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Jeffrey F. Glusman, Kyle E. Niemeyer, Amanda S. Makowiecki, Nicholas T. Wimer, Caelan Lapointe, Gregory B. Rieker, Peter Hamlington, John W. Daily (2019)
Reduced Gas-Phase Kinetic Models for Burning of Douglas Fir
Frontiers in Mechanical Engineering
Presents and validates a reduced model for simulating burning of Douglas Fir trees.
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Phillip Mestas, Parker Clayton, Kyle E. Niemeyer (2019)
pyMARS: automatically reducing chemical kinetic models in Python
Journal of Open Source Software
Presents a new Python-based open-source software package for automatically reducing chemical kinetic models, pyMARS.
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Katherine M. Smith, Peter Hamlington, Kyle E. Niemeyer, Baylor Fox-Kemper, Nicole S. Lovenduski (2019)
Effects of Langmuir turbulence on upper ocean carbonate chemistry
Journal of Advances in Modeling Earth Systems
Shows that carbonate chemistry and turbulent mixing in the upper ocean interact, and time-dependent chemistry needs to be considered for accurate simulations.
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Benjamin D. Smucker, Tejas C. Mulky, Daniel A. Cowan, Kyle E. Niemeyer, David Blunck (2019)
Effects of fuel content and density on the smoldering characteristics of cellulose and hemicellulose
Proceedings of the Combustion Institute
A companion paper to our computational study, experimentally studies smoldering in mixtures of cellulose and hemicellulose, using both horizontal spread and downward spread, to identify controlling parameters.
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Tejas C. Mulky, Kyle E. Niemeyer (2019)
Computational study of the effects of density, fuel content, and moisture content on smoldering propagation of cellulose and hemicellulose mixtures
Proceedings of the Combustion Institute
Uses computational modeling to study how changes in important physical properties, including fuel composition, affect smoldering in mixtures of cellulose and hemicellulose.
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Shane Daly, Khang Tran, Kyle E. Niemeyer, William J. Cannella, Christopher Hagen (2019)
Predicting fuel low-temperature combustion performance using Fourier-transform infrared absorption spectra of neat hydrocarbons
Fuel
Builds on our previously demonstrated work, trains a model using infrared spectra to predict the performance of fuels in low-temperature combustion engines.
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2018

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Arfon M. Smith, Kyle E. Niemeyer, Daniel S. Katz, Lorena A. Barba, George Githinji, Melissa Gymrek, Kathryn D. Huff, Christopher R. Madan, Abigail Cabunoc Mayes, Kevin M. Moerman, Pjotr Prins, Karthik Ram, Ariel Rokem, Tracy K. Teal, Roman Valls Guimera, Jacob T. Vanderplas (2018)
Journal of Open Source Software (JOSS): design and first-year review
PeerJ Computer Science
Describes the motivation, design, and progress of the Journal of Open Source Software (JOSS), which is a free and open-access journal that publishes articles describing research software.
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Daniel S. Katz, Kyle E. Niemeyer, Sandra Gesing, Lorraine Hwang, Wolfgang Bangerth, Simon Hettrick, Ray Idaszak, Jean Salac, Neil Chue Hong, Santiago Núñez-Corrales, Alice Allen, R. Stuart Geiger, Jonah Miller, Emily Chen, Anshu Dubey, Patricia Lago (2018)
Fourth Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE4)
Journal of Open Research Software
Records and discusses the Fourth Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE4).
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Daniel S. Katz, Gabrielle Allen, Lorena A. Barba, Devin R. Berg, Holly Bik, Carl Boettiger, Christine L. Borgman, C. Titus Brown, Stuart Buck, Randy Burd, Anita de Waard, Martin Paul Eve, Brian E. Granger, Josh Greenberg, Adina Howe, Bill Howe, May Khanna, Timothy L. Killeen, Matthew Mayernik, Erin McKiernan, Chris Mentzel, Nirav Merchant, Kyle E. Niemeyer, Laura Noren, Sarah M. Nusser, Daniel A. Reed, Edward Seidel, MacKenzie Smith, Jeffrey R. Spies, Matt Turk, John D. Van Horn, Jay Walsh (2018)
The principles of tomorrow's university
F1000Research
Discusses and summarizes the activities of a workshop on imagining the university of tomorrow, focused on open scholarly research.
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Devin R. Berg, Kyle E. Niemeyer (2018)
The case for openness in engineering research
F1000Research
Reviews benefits and possible downsides of open science in engineering research, making the case that a culture of openness and sharing in the engineering community can help drive societal development.
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Miguel Soler, Kyle E. Niemeyer (2018)
Analysis of an approach for detecting arc positions during vacuum arc remelting based on magnetic flux density measurements
Journal of Manufacturing Science and Engineering
Examines the assumptions made in a commercially used method for detecting the locations of electrical arcs in vacuum arc remelting furnaces, which are used to produce high-grade metal ingots.
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Dan Magee, Kyle E. Niemeyer (2018)
Accelerating solutions of one-dimensional unsteady PDEs with GPU-based swept time-space decomposition
Journal of Computational Physics
Implements a recent domain decomposition scheme on GPUs, the swept time-space decomposition rule, and analyzes its performance for solving one-dimensional partial differential equations.
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Nicholas Curtis, Kyle E. Niemeyer, Chih-Jen Sung (2018)
Using SIMD and SIMT vectorization to evaluate sparse chemical kinetic Jacobian matrices and thermochemical source terms
Combustion and Flame
Presents an updated version of the pyJac software for generating analytical Jacobian matrices, featuring alternate formulations that allow for sparse linear algebra operations and vectorized evaluation.
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Sai Krishna Sirumalla, Morgan Mayer, Kyle E. Niemeyer, Richard West (2018)
Assessing impacts of discrepancies in model parameters on autoignition model performance: A case study using butanol
Combustion and Flame
Shows that discrepancies between parameters in chemical kinetic models found across the literature can lead to significantly different outcomes, and calls for concerted efforts to compile all kinetic models, parameters, and experimental measurements into shared databases.
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Bryan Weber, Kyle E. Niemeyer (2018)
ChemKED: A human- and machine-readable data standard for chemical kinetics experiments
International Journal of Chemical Kinetics
Introduces the ChemKED file standard for describing fundamental combustion experiments, along with a Python-based software package for validating and working with files.
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2017

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Jonathan P. Tennant, Jonathan M. Dugan, Daniel Graziotin, Damien C. Jacques, François Waldner, Daniel Mietchen, Yehia Elkhatib, Lauren B. Collister, Christina K. Pikas, Tom Crick, Paola Masuzzo, Anthony Caravaggi, Devin R. Berg, Kyle E. Niemeyer, Tony Ross-Hellauer, Sara Mannheimer, Lillian Rigling, Daniel S. Katz, Bastian Greshake Tzovaras, Josmel Pacheco-Mendoza, Nazeefa Fatima, Marta Poblet, Marios Isaakidis, Dasapta Erwin Irawan, Sébastien Renaut, Christopher R. Madan, Lisa Matthias, Jesper Nørgaard Kjær, Daniel Paul O'Donnell, Cameron Neylon, Sarah Kearns, Manojkumar Selvaraju, Julien Colomb (2017)
A multi-disciplinary perspective on emergent and future innovations in peer review
F1000 Research
Examines models for peer review across the systems of scholarly communication, and proposes potential new models that resolve technical and social issues inherent to the status quo.
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Xin Hui, Kyle E. Niemeyer, Kyle B. Brady, Chih-Jen Sung (2017)
Reduced chemistry for butanol isomers at engine-relevant conditions
Energy & Fuels
Presents and analyzes reduced chemical kinetic models for the four isomers of butanol. Discusses some issues related to pressure-dependent reactions made using the logarithmic pressure interpolation approach.
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Shyam Menon, Himakar Ganti, Kyle E. Niemeyer, Christopher Hagen (2017)
Effects of oil and water contamination on natural gas engine combustion processes
Journal of Natural Gas Science and Engineering
Investigates the effects of upstream conditions of natural gas on conditions in an internal combustion engine, finding that water does not have an impact but oil contamination can play a larger role.
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Kyle E. Niemeyer, Nicholas Curtis, Chih-Jen Sung (2017)
pyJac: Analytical Jacobian generator for chemical kinetics
Computer Physics Communications
Presents the pyJac software package for automatically generating analytical Jacobian matrices for chemical kinetic models, which can be used to speed up simulations.
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Nicholas Curtis, Kyle E. Niemeyer, Chih-Jen Sung (2017)
An investigation of GPU-based stiff chemical kinetics integration methods
Combustion and Flame
Studies the performance on GPUs of multiple integration algorithms for stiff chemical kinetics, building on an earlier study of simpler algorithms that can only handle moderate stiffness.
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2016

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Arfon M Smith, Daniel S Katz, Kyle E. Niemeyer, FORCE11 Software Citation Working Group (2016)
Software Citation Principles
PeerJ Computer Science
Presents a consolidated set of principles for citing software in scholarly studies, to encourage broad adoption of a consistent policy for software citation across disciplines and venues.
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Daniel S. Katz, Sou-Cheng T. Choi, Kyle E. Niemeyer, James Hetherington, Frank Löffler, Dan Gunter, Ray Idaszak, Steven R. Brandt, Mark A. Miller, Sandra Gesing, Nick D. Jones, Nic Weber, Suresh Marru, Gabrielle Allen, Birgit Penzenstadler, Colin C. Venters, Ethan Davis, Lorraine Hwang, Ilian Todorov, Abani Patra, Miguel de Val-Borro (2016)
Report on the Third Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE3)
Journal of Open Research Software
Records and discusses the Third Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE3).
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Kyle E. Niemeyer, Arfon M Smith, Daniel S Katz (2016)
The challenge and promise of software citation for credit, identification, discovery, and reuse
Journal of Data and Information Quality
Presents the challenge of software citation as a method to ensure credit for and identification, discovery, and reuse of software in scientific and engineering research. Also discusses related work and key challenges/research directions.
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Shane Daly, Kyle E. Niemeyer, William J. Cannella, Christopher Hagen (2016)
Predicting fuel research octane number using Fourier-transform infrared absorption spectra of neat hydrocarbons
Fuel
Presents a statistical model for accurately predicting the octane numbers of practical gasoline fuels, using their infrared spectra. Showed that models can be developed using neat fuels and their blends for broad applicability.
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2015Started tenure-track position

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Kyle E. Niemeyer, Shane Daly, William J. Cannela, Christopher Hagen (2015)
A novel fuel performance index for LTC engines based on operating envelopes in light-duty driving cycle simulations
Journal of Engineering for Gas Turbines and Power
Presents a new metric for quantifying the performance of fuels for low-temperature combustion engines, that uses simulations of a light-duty vehicle over standard driving cycle and the associated engine operating envelope.
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Kyle E. Niemeyer, Chih-Jen Sung (2015)
Reduced chemistry for a gasoline surrogate valid at engine-relevant conditions
Energy & Fuels
Demonstrates a multi-stage approach to reducing chemical kinetic models, and uses it to produce separate reduced models for gasoline surrogate fuels for spark-ignition engine and low-temperature compression-ignition engine simulations.
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Kyle E. Niemeyer, Shane Daly, William J. Cannela, Christopher Hagen (2015)
Investigation of the LTC fuel performance index for oxygenated reference fuel blends
Fuel
Extends the study of our LTC fuel performance index to consider fuel blends with oxygenated components like ethanol.
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Kyle B Brady, Xin Hui, Kyle E. Niemeyer, Chih-Jen Sung (2015)
Counterflow ignition of n-butanol at atmospheric and elevated pressures
Combustion and Flame
Used a new experimental apparatus to study and investigate chemical kinetic models for n-butanol, identifying gaps in the current understanding of how the fuel reacts and ignites.
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Nicholas Curtis, Kyle E. Niemeyer, Chih-Jen Sung (2015)
An automated target species selection method for dynamic adaptive chemistry simulations
Combustion and Flame
Introduces a new method for automatically identifying important target species for use with dynamic algorithms to reduce chemical kinetic models on the fly.
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Fengquan Zhong, Sugang Ma, Xinyu Zhang, Chih-Jen Sung, Kyle E. Niemeyer (2015)
Development of efficient and accurate skeletal mechanisms for hydrocarbon fuels and kerosene surrogate
Acta Mechanica Sinica
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2014Shifted to research faculty position

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Kyle E. Niemeyer, Chih-Jen Sung (2014)
Accelerating moderately stiff chemical kinetics in reactive-flow simulations using GPUs
Journal of Computational Physics
While integrating chemical kinetics usually requires complex implicit algorithms to handle stiffness, certain stabilized explicit methods can handle moderate levels of stiffness, and these algorithms also parallelize efficiently on GPUs.
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Kyle E. Niemeyer, Chih-Jen Sung (2014)
Mechanism reduction for multicomponent surrogates: a case study using toluene reference fuels
Combustion and Flame
When reducing chemical kinetic models for fuel blends, rather than a single fuel, additional care must be taken.
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Kyle E. Niemeyer, Chih-Jen Sung (2014)
Recent progress and challenges in exploiting graphics processors in computational fluid dynamics
Journal of Supercomputing
Surveys the history (up to that point) of using graphics processing units (GPUs) for performing computational fluid dynamics simulations.
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2011

2010Defended MS thesis; began PhD work

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Kyle E. Niemeyer, Chih-Jen Sung, Mandhapati P Raju (2010)
Skeletal mechanism generation for surrogate fuels using directed relation graph with error propagation and sensitivity analysis
Combustion and Flame
Develops a new method for automatically reducing chemical kinetic models and applies it to large models for n-heptane, iso-octane, and n-decane.
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2009Graduated from BS; 1st year of MS

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Craig R. Slyfield, Kyle E. Niemeyer, EV Tkachenko, Ryan E Tomlinson, Grant G Steyer, CG Patthanacharoenphon, GJ Kazakia, David L Wilson, Christopher J Hernandez (2009)
Three-dimensional surface texture visualization of bone tissue through epifluorescence-based serial block face imaging
Journal of Microscopy
Developed a method to visualize the surfaces of bones, and create three-dimensional models, by processing high-resolution images taken as microscopic surfaces were ground away.
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