HPC Faculty Research

 
High Performance Computing Research
112A Engineeering Research Laboratories, Rolla, MO 65409
(573) 341-4451
hpc@mst.edu

HPC center researchers are prolific in writing publications, having published over 300 refereed journal articles since the center opened in January 2014. In that same time period, center members have written 50 conference proceedings, authored four book chapters and been awarded six patents.

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Submissions from 2015

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A Coherent Phonon Pulse Model for Transient Phonon Thermal Transport, Xiang Chen, Aleksandr V. Chernatynskiy, Liming Xiong, and Youping Chen

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Anharmonic Properties in Mg2X (X= C, Si, Ge, Sn, Pb) from First-Principles Calculations, Aleksandr V. Chernatynskiy and Simon R. Phillpot

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Phonon Transport Simulator (PhonTS), Aleksandr V. Chernatynskiy and Simon R. Phillpot

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Anisotropy in Oxidation of Zirconium Surfaces from Density Functional Theory Calculations, Tsu-Wu Chiang, Aleksandr V. Chernatynskiy, Mark J. Noordhoek, Susan Sinnott, and Simon R. Phillpot

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Ligand Field Influence on the Electronic and Magnetic Properties of Quasi-linear Two-coordinate Iron(II) Complexes, Nicholas F. Chilton, Hao Lei, Aimee M. Bryan, Fernande Grandjean, Gary J. Long, and Philip P. Power

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Computational Discovery of Lanthanide Doped and Co-Doped Y3Al5O12 for Optoelectronic Applications, Kamal Kumar Choudhary, Aleksandr V. Chernatynskiy, Kiran Mathew, Eric W. Bucholz, Simon R. Phillpot, Susan Sinnott, and Richard G. Hennig

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Charge Optimized Many-Body (COMB) Potential for Al2O3 Materials, Interfaces, and Nanostructures, Kamal Kumar Choudhary, Tao Liang, Aleksandr V. Chernatynskiy, Simon R. Phillpot, and Susan Sinnott

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Fuzzy Adaptive Resonance Theory, Diffusion Maps and their Applications to Clustering and Biclustering, S. B. Damelin, Y. Gu, Donald C. Wunsch, and Rui Xu

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Multi-Prototype Local Density-Based Hierarchical Clustering, Leonardo Enzo Da Silva and Donald C. Wunsch

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New Views Author Profile, Richard Dawes

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UV Absorption Spectrum and Photodissociation Channels of the Simplest Criegee Intermediate (CH2OO), Richard Dawes, Bin Jiang, and Hua Guo

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Fast Approximation of Sine and Cosine Hyperbolic Functions for the Calculation of the Transmission Matrix of a Multiconductor Transmission Line, Nana Dikhaminjia, Jemal L. Rogava, Mikheil Tsiklauri, Mikhail Zvonkin, Jun Fan, and James L. Drewniak

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Computing the Ground and First Excited States of Fractional Schrodinger Equations in an Inifinite Potential Well, Siwei Duo and Yanzhi Zhang

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Pore Pressure Evolution and Fluid Flow During Visco-Elastic Single-Layer Buckle Folding, Andreas Eckert, X. Liu, and P. Connolly

The Role of Deformation History of Buckle Folds on Sustainable Pore Pressure Magnitudes, Andreas Eckert and Xiaolong Liu

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Numerical Estimates of the Maximum Sustainable Pore Pressure in Anticline Formations using the Tensor Based Concept of Pore Pressure-Stress Coupling, Andreas Eckert, W. Zhang, X. Liu, and M. Paradeis

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PEEC Macromodels for above Plane Decoupling Capacitors, Xiang Fang, Tamar Makharashvili, Albert E. Ruehli, Jun Fan, James L. Drewniak, Bruce R. Archambeault, and Matteo Cocchini

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The Instability of Ni{N(SiMe3)2}2: A Fifty Year Old Transition Metal Silylamide Mystery, Michelle A. Faust, Aimee M. Bryan, Akseli Mansikkamäki, Petra Vasko, Marilyn M. Olmstead, Heikki M. Tuononen, Fernande Grandjean, Gary J. Long, and Philip P. Power

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Preface, Gennady Fridman, Jeremy Levesley, Ivan Tyukin, and Donald C. Wunsch

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Profit-Sharing between an Open-Source Firm and Application Developers -- Maximizing Profits from Applications and In-Application Advertisements, Nobuyuki Fukawa and Yanzhi Zhang

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Training Recurrent Neural Networks with the Levenberg-Marquardt Algorithm for Optimal Control of a Grid-Connected Converter, Xingang Fu, Shuhui Li, Michael Fairbank, Donald C. Wunsch, and Eduardo Alonso

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Electron Hopping through Double-Exchange Coupling in a Mixed-Valence Diiminobenzoquinone-Bridged Fe2 Complex, Alexandra I. Gaudette, Ie Rang Jeon, John Stuart Anderson, Fernande Grandjean, Gary J. Long, and T. David Harris

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A Study of the Monohydrate and Dihydrate Complexes of Perfluoropropionic Acid using Chirped-Pulse Fourier Transform Microwave (CP-FTMW) Spectroscopy, Gary S. Grubbs, Daniel A. Obenchain, Derek S. Frank, Stewart E. Novick, S. A. Cooke, Agapito Serrato, and Wei Lin

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Investigation of S21 Magnitude Extraction Methodologies By Using a Pattern Generator and Sampling Oscilloscope, Xinyun Guo, Ketan Shringarpure, Fadi H. Daou, and Jun Fan

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A Comparison of Genetic Programming Variants for Hyper-Heuristics, Sean Harris, Travis Bueter, and Daniel R. Tauritz

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A Domain Decomposition Method for the Steady-State Navier-Stokes-Darcy Model with Beavers-Joseph Interface Condition, Xiaoming He, Jian Li, Yanping Lin, and Ju Ming

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Control of Critical Coupling in a Coiled Coaxial Cable Resonator, Jie Huang, Tao Wei, Tao Wang, Jun Fan, and Hai Xiao

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Effect of Plastic Incompatibility on the Strain Hardening Behavior of Al-TiN Nanolayered Composites, Sixie Huang, Jian Wang, and Caizhi Zhou

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Big Data -- A 21st Century Science Maginot Line? No-Boundary Thinking: Shifting from the Big Data Paradigm, Xiuzhen Huang, Steven F. Jennings, Barry Bruce, Alison Buchan, Liming Cai, Pengyin Chen, Carole Cramer, Weihua Guan, Uwe KK Hilgert, Hongmei Jiang, Zenglu Li, Gail McClure, Donald F. McMullen, Bindu Nanduri, Andy Perkins, Bhanu Rekepalli, Saeed Salem, Jennifer Specker, Karl Walker, Donald C. Wunsch, Donghai Xiong, Shuzhong Zhang, Yu Zhang, Zhongming Zhao, and Jason H. Moore

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Euler-Maclaurin Expansions and Approximations of Hypersingular Integrals, Chaolang Hu, Xiaoming He, and Tao Lü

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Three-Dimensional IFE-PIC Numerical Simulation of Background Pressure's Effect on Accelerator Grid Impingement Current for Ion Optics, Honghua Jian, Yuchuan Chu, Huijun Cao, Yong Cao, Xiaoming He, and Guangqing Xia

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Extraction of Permittivity and Permeability for Ferrites and Flexible Magnetodielectric Materials using a Genetic Algorithm, Shenhui Jing, Yaojiang Zhang, Jing Li, Dazhao Liu, Marina Y. Koledintseva, David Pommerenke, Jun Fan, and James L. Drewniak

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Electron- and Photon-Impact Ionization of Furfural, D. B. Jones, E. Ali, K. L. Nixon, P. Limão-Vieira, M.-J. Hubin-Franskin, J. Delwiche, C. G. Ning, J. Colgan, Andrew J. Murray, Don H. Madison, and M .J. Brunger

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Combined Experimental and Computational Methods Reveal the Evolution of Buried Interfaces During Synthesis of Ferroelectric Thin Films, Jacob L. Jones, James M. LeBeau, Jason Nikkel, Adedapo A. Oni, Joseph Houston Dycus, Clayton Cozzan, Fang Yin Lin, Aleksandr V. Chernatynskiy, Juan Claudio Nino, Susan Sinnott, Sung Wook Mhin, Geoff L. Brennecka, and Jon F. Ihlefeld

A Hybrid of Computational Intelligence Techniques for Shape Analysis of Traffic Flow Curves, Wasim Kayani, Shikhar Acharya, Ivan Guardiola, Donald C. Wunsch, and Brian Schumacher

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Composition-Dependent Structural and Transport Properties of Amorphous Transparent Conducting Oxides, Rabi Khanal, D. Bruce Buchholz, Robert P. Chang, and Julia E. Medvedeva

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On-Chip Linear Voltage Regulator Module (VRM) Effect on Power Distribution Network (PDN) Noise and Jitter at High-Speed Output Buffer, Heegon Kim, Sukjin Kim, Joungho Kim, Changwook Yoon, Yingook Kim, Brice Achkir, and Jun Fan

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Solid-Phase Synthesis, Characterization, and Cellular Activities of Collagen-Model Nanodiamond-Peptide Conjugates, Anna M. Knapinska, Dorota Tokmina-Roszyk, Sabrina Amar, Michal Tokmina-Roszyk, Vadym Mochalin, Yury Gogotsi, Patrick Cosme, Andrew C. Terentis, and Gregg B. Fields

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Applicability of the Multiple-Event Stacking Technique for Shear-Wave Splitting Analysis, Fansheng Kong, Stephen S. Gao, and Kelly H. Liu

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A Systematic Comparison of the Transverse Energy Minimization and Splitting Intensity Techniques for Measuring Shear-Wave Splitting Parameters, Fansheng Kong, Stephen S. Gao, and Kelly H. Liu

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An ab initio Investigation of the Effect of Alloying Elements on the Elastic Properties and Magnetic Behavior of Ni3Al, Aakash Kumar, Aleksandr V. Chernatynskiy, Minki Hong, Simon R. Phillpot, and Susan Sinnott

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Charge Optimized Many-Body (COMB) Potential for Dynamical Simulation of Ni-Al Phases, Aakash Kumar, Aleksandr V. Chernatynskiy, Tao Liang, Kamal Kumar Choudhary, Mark J. Noordhoek, Yu Ting Cheng, Simon R. Phillpot, and Susan Sinnott

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Corrigendum: Charge Optimized Many-Body (COMB) Potential for Dynamical Simulation of Ni-Al Phases (J. Phys: Condens. Matter (2015) 27 (336302)), Aakash Kumar, Aleksandr V. Chernatynskiy, Tao Liang, Kamal Kumar Choudhary, Mark J. Noordhoek, Yu Ting Cheng, Simon R. Phillpot, and Susan Sinnott

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Clustering Data of Mixed Categorical and Numerical Type with Unsupervised Feature Learning, Dao Lam, Mingzhen Wei, and Donald C. Wunsch

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Effect of Pores and He Bubbles on the Thermal Transport Properties of UO2 By Molecular Dynamics Simulation, Chan Woo Lee, Aleksandr V. Chernatynskiy, Piyush N. Shukla, Roger E. Stoller, Susan Sinnott, and Simon R. Phillpot

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Design of On-Chip Linear Voltage Regulator Module and Measurement of Power Distribution Network Noise Fluctuation at High-Speed Output Buffer, Manho Lee, Heegon Kim, Sukjin Kim, Joungho Kim, Jonghyun Cho, Changwook Yoon, Brice Achkir, Jingook Kim, and Jun Fan

Multi-Objective Aeroacoustic Shape Optimization By Variable-Fidelity Models and Response Surface Surrogates, Leifur Leifsson, Slawomir Koziel, Y. A. Tesfahuneng, and Serhat Hosder

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Boron Nitride Colloidal Solutions, Ultralight Aerogels and Freestanding Membranes through One-Step Exfoliation and Functionalization, Weiwei Lei, Vadym Mochalin, Dan Liu, Si Qin, Yury G. Gogotsi, and Ying Chen

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Azimuthal Anisotropy beneath North Central Africa from Shear Wave Splitting Analyses, Awad A. Lemnifi, Kelly H. Liu, Stephen S. Gao, Cory A. Reed, Ahmed A. Elsheikh, Youqiang Yu, and Abdala A. Elmelade

Direct Numerical Simulation of Transition Due to Traveling Crossflow Vortices, Fei Li, Meelan M. Choudhari, and Lian Duan

Secondary Instability of Stationary Crossflow Vortices in Mach 6 Boundary Layer over a Circular Cone, Fei Li, Meelan Choudhari, Pedro Paredes-Gonzalez, and Lian Duan

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EMI Coupling Paths and Mitigation in a Board-to-Board Connector, Jing Li, Xiao Li, Sukhjinder Toor, Hongmei Fan, Alpesh U. Bhobe, Jun Fan, and James L. Drewniak

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Radiation Physics from Two-Wire Transmission Lines, Jing Li, Yaojiang Zhang, Dazhao Liu, Alpesh U. Bhobe, James L. Drewniak, and Jun Fan

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From Ab Initio Potential Energy Surfaces to State-resolved Reactivities: X + H2O ↔ HX + OH [X = F, Cl, and O(3P)] Reactions, Jun Li, Bin Jiang, Hongwei Song, Jianyi Ma, Bin Zhao, Richard Dawes, and Hua Guo

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Measurement Validation for Radio-Frequency Interference Estimation by Reciprocity Theorem, Liang Li, Jingnan Pan, Chulsoon Hwang, Gyuyeong Cho, Harkbyeong Park, Yaojiang Zhang, and Jun Fan

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Near-Field Coupling Estimation By Source Reconstruction and Huygens's Equivalence Principle, Liang Li, Jingnan Pan, Chulsoon Hwang, Gyuyeong Cho, Harkbyeong Park, Yaojiang Zhang, and Jun Fan

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Ab Initio Simulation of Alloying Effect on Stacking Fault Energy in Fcc Fe, K. R. Limmer, Julia E. Medvedeva, David C. Van Aken, and N. I. Medvedeva

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Salts of the Two-coordinate Homoleptic Manganese(I) Dialkyl Anion [Mn{C(SiMe3)3}2]2- with Quenched Orbital Magnetism, Chun-Yi Lin, James C. Fettinger, Nicholas F. Chilton, Alasdair Formanuik, Fernande Grandjean, Gary J. Long, and Philip P. Power

Systems, methods and devices for vector control of permanent magnet synchronous machines using artificial neural networks, Shuhui Li, Michael Fairbank, Xingang Fu, Donald C. Wunsch, and Eduardo Alonso

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Neural-Network Based Vector Control of VSCHVDC Transmission Systems, Shuhui Li, Xingang Fu, Eduardo Alonso, Michael Fairbank, and Donald C. Wunsch

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Control of Three-Phase Grid-Connected Microgrids using Artificial Neural Networks, Shuhui Li, Xingang Fu, Ishan Jaithwa, Eduardo Alonso, Michael Fairbank, and Donald C. Wunsch

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Optical Conductivity of Mayenite: From Insulator to Metal, R. P. S. M. Lobo, N. Bontemps, M. I. Bertoni, T. O. Mason, K. R. Poeppelmeier, A. J. Freeman, M. S. Park, and Julia E. Medvedeva

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Combined Mössbauer Spectral and Density Functional Study of an Eight-Coordinate Iron(II) Complex, Gary J. Long, Fernande Grandjean, Todd C. Harrop, Heather M. Petroccia, and Georgia C. Papaefthymiou

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Nanoindentation of Zr By Molecular Dynamics Simulation, Zizhe Lu, Aleksandr V. Chernatynskiy, Mark J. Noordhoek, Susan Sinnott, and Simon R. Phillpot

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Deformation Processes in Polycrystalline Zr By Molecular Dynamics Simulations, Zizhe Lu, Mark J. Noordhoek, Aleksandr V. Chernatynskiy, Susan Sinnott, and Simon R. Phillpot

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Explicitly Correlated MRCI-F12 Potential Energy Surfaces for Methane Fit with Several Permutation Invariant Schemes and Full-dimensional Vibrational Calculations, Moumita Majumder, Samuel E. Hegger, Richard Dawes, Sergei Manzhos, Xiaogang Wang, Tucker Carrington Jr., Jun Li, and Hua Guo

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Effect of Variant Strain Accommodation on the Three-Dimensional Microstructure Formation during Martensitic Transformation: Application to Zirconia, Mahmood Mamivand, Mohsen Asle Zaeem, and Haitham El Kadiri

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Neural Network-based Approaches for Building High Dimensional and Quantum Dynamics-friendly Potential Energy Surfaces, Sergei Manzhos, Richard Dawes, and Tucker Carrington Jr.

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Asynchronous Parallel Evolutionary Algorithms: Leveraging Heterogeneous Fitness Evaluation Times for Scalability and Elitist Parsimony Pressure, Matthew A. Martin, Alex R. Bertels, and Daniel R. Tauritz

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Hyper-Heuristics: A Study on Increasing Primitive-space, Matthew A. Martin and Daniel R. Tauritz

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Long-Range Structural Correlations in Amorphous Ternary In-based Oxides, Julia E. Medvedeva and Rabi Khanal

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Stability of Binary and Ternary M23C6 Carbides from First Principles, N. I. Medvedeva, David C. Van Aken, and Julia E. Medvedeva

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Adaptive Scaling of Cluster Boundaries for Large-Scale Social Media Data Clustering, Lei Meng, Ah-Hwee Tan, and Donald C. Wunsch

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Automated Construction of Potential Energy Surfaces, Calvin Mukarakate, Steve Alexandre Ndengué, and Richard Dawes

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Rotational Excitations in Co-Co Collisions at Low Temperature: Time-independent and Multiconfigurational Time-dependent Hartree Calculations, Steve Alexandre Ndengué, Richard Dawes, and Fabien Gatti

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Resonances of HCO Computed Using an Approach Based on the Multiconfiguration Time-Dependent Hartree Method, Steve Alexandre Ndengué, Richard Dawes, Fabien Gatti, and Hans Dieter Meyer

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Towards a Global Model of Spin-orbit Coupling in the Halocarbenes, Silver Nyambo, Cyrus Karshenas, Scott A. Reid, Phalgun Lolur, and Richard Dawes

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Sorting the Phenotypic Heterogeneity of Autism Spectrum Disorders: A Hierarchical Clustering Model, Tayo Obafemi-Ajayi, Dao Lam, T. Nicole Takahashi, Stephen Kanne, and Donald C. Wunsch

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Interference Effects for Intermediate Energy Electron-Impact Ionization of H2 and N2 Molecules, Zehra Nur Ozer, Hari Chaluvadi, Don H. Madison, and Mevlut Dogan

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Single Crystal Formation in Micro/Nano-Confined Domains by Melt-Mediated Crystallization without Seeds, Heng Pan and Wan Shou

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Far-Field Prediction by only Magnetic Near Fields on a Simplified Huygens's Surface, Jingnan Pan, Xu Gao, and Jun Fan

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Application of Dipole-Moment Model in EMI Estimation, Jingnan Pan, Liang Li, Xu Gao, Jun Fan, Chulsoon Hwang, Gyuyeong Cho, and Harkbyeong Park

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An Efficient Method to Extract Surface-Wave Poles of Green's Functions near Branch Cut in Lossy Layered Media, Siming Pan and Jun Fan

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Significant Capacity and Cycle-Life Improvement of Lithium-Ion Batteries through Ultrathin Conductive Film Stabilized Cathode Particles, Rajankumar L. Patel, Hui Xie, Jonghyun Park, Hooman Yaghoobnejad Asl, Amitava Choudhury, and Xinhua Liang

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Effects of Time-Variant Non-Linear TSV Parameters on Transient Analysis for Signal Integrity, S. Piersanti, Francesco de Paulis, Antonio Orlandi, Brice Achkir, and Jun Fan

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Impact of Frequency-Dependent and Nonlinear Parameters on Transient Analysis of Through Silicon Vias Equivalent Circuit, Stefano Piersanti, Francesco de Paulis, Antonio Orlandi, and Jun Fan

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Equivalent Circuit Modeling of Dielectric Hysteresis Loops in Through Silicon Vias, Stefano Piersanti, Francesco de Paulis, Antonio Orlandi, Donghyun Kim, Joungho Kim, and Jun Fan

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Multifractal Analysis of Electronic States on Random Voronoi-Delaunay Lattices, Martin Puschmann, Philipp Cain, Michael Schreiber, and Thomas Vojta

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A Planar Low-Profile Meander Antenna Design for Wireless Terminal Achieving Low Self-Interference, Yihong Qi, Jun Fan, Ye-Hai Bi, Wei Yu, and James L. Drewniak

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Modeling Electromagnetic Field Coupling Through Apertures for Radio-Frequency Interference Applications, Liehui Ren and Jun Fan

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A Hybrid Method for Signal Integrity Analysis of Traces and Vias in an Infinitely Large Plate Pair, Liehui Ren, Peng Shao, Kelvin Qiu, Jane Lim, Rick Brooks, Xinxin Tian, Yaojiang Zhang, and Jun Fan

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Kinematically Complete Study of Low-Energy Electron-Impact Ionization of Neon: Internormalized Cross Sections in Three-Dimensional Kinematics, Xueguang Ren, Sadek Amami, Oleg Zatsarinny, Thomas Pflüger, Marvin Weyland, Woon Yong Baek, Hans Rabus, Klaus Bartschat, Don H. Madison, and Alexander Dorn

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Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn3Ta2O8, Karl Rickert, Eric A. Pozzi, Rabi Khanal, Masatoshi Onoue, Giancarlo Trimarchi, Julia E. Medvedeva, Mark C. Hersam, Duyne Richard Van, and Kenneth R. Poeppelmeier

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Coevolutionary Agent-Based Network Defense Lightweight Event System (CANDLES), George Rush, Daniel R. Tauritz, and Alexander D. Kent

Real time mission planning, Emad William Saad, Stefan Richard Bieniawski, Paul Edward Riley Pigg, John Lyle Vian, and Paul Michael Robinette

Uncertainty Quantification of Turbulence Model Closure Coefficients for Transonic Wall-Bounded Flows, J. Schaefer, Serhat Hosder, T. West, Christopher Rumsey, Jan-Renee Carlson, and William Kleb

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Multi-Fidelity Robust Aerodynamic Design Optimization under Mixed Uncertainty, Harsheel R. Shah, Serhat Hosder, Slawomir Koziel, Yonatan Afework Tesfahunegn, and Leifur Leifsson

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Multi-Fidelity Robust Aerodynamic Design Optimization under Mixed Uncertainty, Harsheel R. Shah, Serhat Hosder, Slawomir Koziel, Yonatan A. Tesfahunegn, and Leifur Leifsson

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A Mixed Uncertainty Quantification Approach using Evidence Theory and Stochastic Expansions, Harsheel R. Shah, Serhat Hosder, and Tyler Winter

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Quantification of Margins and Mixed Uncertainties Using Evidence Theory and Stochastic Expansions, Harsheel R. Shah, Serhat Hosder, and Tyler Winter