TACCSTER 2023

September 27-29, 2023

Texas Advanced Computing Center

Pickle Research Campus | Austin, TX


Speakers & Panels

 

Dr. Dan Stanzione

Associate Vice President For Research
Executive Director, TACC

State of the Center Address

Dr. Dan Stanzione, Associate Vice President for Research at The University of Texas at Austin since 2018 and Executive Director of the Texas Advanced Computing Center (TACC) since 2014, is a nationally recognized leader in high performance computing. He is the principal investigator (PI) for several projects including a multimillion-dollar National Science Foundation (NSF) grant to acquire and deploy Frontera, which is the fastest supercomputer at a U.S. university. Dr. Stanzione is also the PI of TACC's Stampede2 and Wrangler systems, supercomputers for high performance computing and for data-focused applications, respectively. He served for six years as the co-director of CyVerse, a large-scale NSF life sciences cyberinfrastructure in which TACC is a major partner. In addition, Dr. Stanzione was a co-PI for TACC's Ranger and Lonestar supercomputers, large-scale NSF systems previously deployed at UT Austin. Dr. Stanzione received his bachelor's degree in electrical engineering and his master's degree and doctorate in computer engineering from Clemson University, where he later directed the supercomputing laboratory and served as an assistant research professor of electrical and computer engineering.

 

Dr. John Linford

Technical Product Manager, CPU Software
NVIDIA

CPU, GPU, Arm, x86… Building Portable Software with NVIDIA HPC SDK

Dr. John Linford is a principal technical manager at NVIDIA focused on developing the CPU software ecosystem. John previously worked as the Arm director of HPC engineering. John has almost two decades of front-line HPC applications, systems, and optimization experience and particularly enjoys working with emerging technologies and extreme-scale systems. John is based in Austin, Texas.

 

Yash Gandhi

Machine Learning Engineer
Spark Cognition

Generative Modeling in Seismic Imaging

Yash Gandhi is a Machine Learning Engineer at SparkCognition where he works on the research team developing and implementing new models for a variety of customer problems. Mr. Gandhi's research interests span diffusion models, generative AI, computer vision, and reinforcement learning. Recently he's been working on implementing diffusion models for inverse problems, specifically those found in seismic imaging. Prior to joining SparkCognition, Mr. Gandhi graduated from University of Colorado with his Master's in Computer Science in 2020.

 

Dr. Yue Deng

Distinguished Professor, Department of Physics
University of Texas at Arlington

Space Weather and its Dependence on Supercomputing Resources

Dr. Yue Deng is a distinguished Professor in the Department of Physics at the University of Texas at Arlington. Dr. Deng’s research interests span many facets of space physics including 3-D modeling of complex systems, solar and geomagnetic energy input uncertainty into the upper atmosphere, gravity-acoustic wave propagation, and ionosphere-thermosphere coupling in multiple scales, among others. She has developed a new 3-D non-hydrostatic ionosphere / thermosphere general circulation model (GCM) for investigating the non-hydrostatic processes in the upper atmosphere. Additionally, Dr. Deng is leading multiple federally funded grants, she is a recipient of a NSF CAREER award, a member of the National Academy of Sciences (NAS) Committee of Solar and Space Physics (CSSP), and was named by NASA as one of three scientists to lead a Geospace Dynamics Constellation mission that will change our understanding of Earth’s upper atmosphere. She won the Joanne Simpson Medal of American Geophysics Union and became an AGU fellow in 2022.

 

Dr. Krishna Kumar

Assistant Professor, Department of Civil, Architectural and Environmental Engineering
The University of Texas at Austin

Accelerating Discoveries with Large Language Models

Dr. Krishna Kumar is an Assistant Professor in Civil, Architecture, and Environmental Engineering at the University of Texas at Austin and Affiliated with the Oden Institute of Computational Science. Dr. Kumar’s research interests span high-performance computing, numerical modeling, explainable AI, and differentiable programming. Recently, his focus has been developing hybrid machine learning and differentiable programming to solve inverse problems and accelerate numerical simulations. Specifically, He has developed massively parallel micro-/macro-scale numerical methods including Graph Network Simulator, Material Point Method, Lattice Boltzmann - Discrete Element coupling, and Lattice Element method. Dr. Kumar was awarded C. S. Desai Award for the best paper on constitutive modeling of geologic materials by the Indian Geotechnical Society.

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Tutorials

 

Trustworthy, Reproducible Machine Learning with Tapis

Instructors: Anagha Jamthe, Joe Stubbs, Steve Black

In this tutorial we will focus on effectively leveraging the NSF-funded Tapis v3 Application Program Interface (API) for building a reproducible and trustworthy scientific machine learning workflow. The tutorial will include hands-on exercises, which will enable the attendees to develop Tapis applications based on an ML pipeline available from Hugging Face, that can be seamlessly moved to different execution environments, including a small virtual machine and a national-scale supercomputer.

 

Containerized Solutions for HPC Workflows

Instructors: Erik Ferlanti, John Fonner

High performance computing (HPC) systems serve a large role in academic computing at scale. In this hands-on tutorial, we will explore methods for running containers on HPC systems including advanced tasks like utilizing GPUs for computation and MPI (Message Passing Interface) for parallel jobs, as well as using Docker to perform multi-stage and multi-architecture builds.

 

CUDA Programming: The basic concepts in C and Fortran

Instructor: Lars Koesterke, Hanning Chen

Effective CUDA code differs from conventional code as it has to reflect and accommodate architectural features of GPUs. In this tutorial I will discuss several key elements of the hardware and the software, i.e. how the execution of a loop matches the grid and block structure of the hardware, how user-managed cache memory is leveraged for speed, and how data is transferred asynchronously from host to device. The tutorial is intended for intermediate-level C/C++ and Fortran programmers who are interested in making the first steps towards CUDA programming for GPUs.

 

Using the UTRC Portal and Uploading Large Datasets

Instructors: Tracy Brown, Carrie Arnold, Sophia Massie-Perez

This will be a 2-part tutorial. Part 1 is a demo of the UTRC portal and how you can use it for your research here at TACC. Part 2 is hands-on, setting up Cyberduck and how to upload your data to TACC.

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Lightning Talks

1

Modeling Gas, Hydrates, and Slope Stability on the U.S. Atlantic Margin during Pleistocene Glaciations

Olin Carty
Hildebrand Department of Petroleum and Geosystems Engineering, and Center for Subsurface Energy and the Environment, The University of Texas at Austin

2

Impact of Tricuspid Annuloplasty Device Shape and Size on Valve Mechanics: A Virtual Case Study

Collin E. Haese
Department of Mechanical Engineering, The University of Texas at Austin

3

Machine Learning Hub for Tapis

Dhanny Indrakusuma
Texas Advanced Computing Center, The University of Texas at Austin

4

A Parametric Study of Oxygen Ion Cyclotron Harmonic Wave Excitation and Polarization by an Oxygen Ring Distribution

Xu Liu
William B. Hanson Center for Space Sciences, The University of Texas at Dallas

5

Numerical Stability of Mixed-Precision Training on GPU Systems

Chintan Mehta
Midwestern State University

6

Role of Perisynaptic Astroglia during Plasticity in a Synaptic Cluster

Andrea J. Nam
Institute for Neuroscience, Center for Learning and Memory, and Department of Neuroscience, The University of Texas at Austin

7

ParaMonte: A High-Performance Serial/Parallel Stochastic Integration Library for R, Python, MATLAB, Fortran, C++, and C

Joshua A. Osborne
Department of Physics, The University of Texas at Arlington

8

Coupled Magnetic Domain Wall Oscillations for Neuromorphic Lateral Excitation Behavior in Periodic Ferromagnetic Nanowire Arrays

Jiwoo Park
Chandra Department of Electrical and Computer Engineering, The University of Texas at Austin

9

Medical Data Augmentation via ChatGPT: A Case Study on Medication Identification and Medication Event Classification

Lijun Qian
CREDIT Center, Prairie View A&M University

10

Distinguishing Gravitational Wave Parameter Markers: Eccentricity vs Precession

Snehal Tibrewal
Center for Gravitational Physics and Department of Physics, The University of Texas at Austin

11

Graph Theory Modeling on the BrainMap Community Portal: Network Topology Reveals a Central Role for the Medial Frontal Gyrus in Mesial Temporal Lobe Epilepsy

Jonathan M. Towne
Research Imaging Institute, and South Texas Medical Scientist Training Program, University of Texas Health Science Center at San Antonio

12

Investigating Vibrio Cholerae ToxT-Ligand Interactions Using GROMACS

Hugo Villar Castellanos
The University of Texas Rio Grande Valley

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Poster Presentations

1

Molecular Dynamics Approach for Processing Modeling and Material Characterization of Carbon Fibers

Md Fazlay Alam, and Armanj D. Hasanyan
Department of Aerospace and Mechanical Engineering, The University of Texas at El Paso

2

Diffusion and NMR Relaxation Properties of Confined Fluids In Organic Nanopores: A Molecular Dynamics Simulation Study

Jorge Ivan Amaro-Estrada, You Wang, and Carlos Torres-Verdín
The University of Texas at Austin

3

Scaling Laws for Language Encoding Models in fMRI

Richard Antonello, Aditya Vaidya, and Alexander Huth
The University of Texas at Austin

4

Setting User Attributes in Virtual Reality for Fluid Dynamics Visualization

Brandon Antron, David Paeres, Akshay Kulshrestha, and Guillermo Araya
Computational Turbulence and Visualization Lab, Department of Mechanical Engineering, The University of Texas at San Antonio

5

Fast and Scalable Method for Uncertainty Quantification of Metal-based Additive Manufacturing Thermal Simulations using a Hypercomplex-based Automatic Differentiation Finite Element Method

Mauricio Aristizabal1, Juan-Sebastian Rincon-Tabares1, Matthew Balcer1, Arturo Montoya12, David Restrepo1, and Harry Millwater1
1. Department of Mechanical Engineering, The University of Texas at San Antonio
2. School of Civil & Environmental Engineering, The University of Texas at San Antonio

6

Simulated Annealing using Crossbar Array and Stochastic Magnetic Tunnel Junctions

Jared Arzate, Paul Bessler, Sam Liu, and Jean Anne Incorvia
The University of Texas at Austin

7

Robust Transformer Neural Network for Computer Vision Applications

Fazlur Rahman Bin Karim1, and Dimah Dera2
1. Electrical and Computer Engineering, The University of Texas Rio Grande Valley
2. Chester F. Carlson Center for Imaging Science, Rochester Institute of Technology

8

Modeling Gas, Hydrates, and Slope Stability on the U.S. Atlantic Margin during Pleistocene Glaciations

Olin Carty, and Hugh Daigle
Hildebrand Department of Petroleum and Geosystems Engineering, and Center for Subsurface Energy and the Environment, The University of Texas at Austin

9

Analyzing of Lewis’s Acid Assisted C—CN Bond Activation of Benzonitriles with [Ni(dmpe)] Fragment using DFT Calculations

Jahid Inam Chowdhury1, Lubna Kader1, Abdurrahman C. Atesin1, William D. Jones2, and Tülay A. Ateşin1
1. Department of Chemistry, The University of Texas Rio Grande Valley
2. Department of Chemistry, University of Rochester

10

Peridynamics in the 4th Sandia Fracture Challenge

Barun Das, and John T. Foster
The Hildebrand Department of Petroleum and Geosystems Engineering, The University of Texas at Austin

11

Efficient Glitch Detection in Gravitational Wave Data using Particle Swarm Optimization

Raghav Girgaonkar, and Soumya Mohanty
Department of Physics and Astronomy, The University of Texas Rio Grande Valley

12

Using Hybrid Solvent Model to Explore the Bound Ions Effects

Wenhan Guo1, and Lin Li12
1. Computational Science Program, The University of Texas at El Paso
2. Department of Physics, The University of Texas at El Paso

13

Impact of Tricuspid Annuloplasty Device Shape and Size on Valve Mechanics: A Virtual Case Study

Collin E. Haese1, Mrudang Mathur1, and Manuel K. Rausch1,2,3,4
1. Department of Mechanical Engineering, The University of Texas at Austin
2. Department of Aerospace Engineering & Engineering Mechanics, The University of Texas at Austin
3. Department of Biomedical Engineering, The University of Texas at Austin
4. Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin

14

Machine Learning Hub for Tapis

Dhanny Indrakusuma, Nathan Freeman, and Joe Stubbs
Texas Advanced Computing Center, The University of Texas at Austin

15

Observability of Low-Luminosity AGN in the Early Universe with JWST

Junehyoung Jeon1, Boyuan Liu2, Volker Bromm1, and Steven L. Finkelstein1
1. Department of Astronomy, The University of Texas at Austin
2. Institute of Astronomy, University of Cambridge

16

Subspace Methods in Era of Quantum Computing

Jonathan Jerke1, and Bill Poirier1,2
1. Quantum Galaxies Corporation
2. Texas Tech University

18

Modeling of Tunable Spike-Timing-Dependent Plasticity (STDP) Neuromorphic Devices using Magnetic Skyrmion Manipulation Chambers

Zulfidin Khodzhaev, and Jean Anne Incorvia
Electrical and Computer Engineering, The University of Texas at Austin

20

Understanding O2 Affinity across Nature Through Simulations of Homologous Heme Proteins

Aaron P. Ledray, and Yi Lu
Department of Chemistry, The University of Texas at Austin

21

A Parametric Study of Oxygen Ion Cyclotron Harmonic Wave Excitation and Polarization by an Oxygen Ring Distribution

Xu Liu1, Lunjin Chen1, Jicheng Sun2, Xueyi Wang2, and Maria E. Usanova3
1. William B. Hanson Center for Space Sciences, The University of Texas at Dallas
2. Department of Physics, Auburn University
3. Laboratory for Atmospheric and Space Physics, University of Colorado Boulder

22

Numerical Stability of Mixed-Precision Training on GPU Systems

Chintan Mehta, and Eduardo Colmenares-Diaz
Midwestern State University

23

Towards Heart Valve Leaflet Closure with High-speed Neural-Network Finite Element Simulations

Kenneth Meyer, Shruti Motiwale, Christian Goodbrake, and Michael Sacks
WCCMS Group, The University of Texas at Austin

24

Ortho Effect or Ortho-fluoro Effect: A Comparison of the C—CN Bond Activation of Substituted Benzonitriles with [Ni(dmpe)] Fragment using DFT Calculations at TACC

Jessica Meza1, Jahid Inam Chowdhury1, Abdurrahman C. Atesin1, William D. Jones2, and Tülay A. Ateşin1
1. Department of Chemistry, The University of Texas Rio Grande Valley
2. Department of Chemistry, University of Rochester

25

Role of Perisynaptic Astroglia during Plasticity in a Synaptic Cluster

Andrea J. Nam1,2,3, Masaaki Kuwajima2,3, John M. Mendenhall2,3, Patrick H. Parker2,3, Dusten D. Hubbard2,3, Dakota C. Hanka2,3, Wickliffe C. Abraham4, and Kristen M. Harris1,2,3
1. Institute for Neuroscience, The University of Texas at Austin
2. Center for Learning and Memory, The University of Texas at Austin
3. Department of Neuroscience, The University of Texas at Austin
4. Department of Pyschology, University of Otago

26

How Does Network Complexity Impact SAV Fleet Operations? Comparing Complete And Incomplete Networks

Kentaro Mori1, Fatemeh Fakhrmoosavi2, Krishna Murthy Gurumurthy3, Kara M. Kockelman1, and Pedro Camargo4
1. Department of Civil, Architectural and Environmental Engineering, The University of Texas at Austin
2. Department of Civil and Environmental Engineering, University of Connecticut
3. Energy Transportation and Power Systems Division, Argonne National Laboratory
4. Transportation and Power Systems Division, Argonne National Laboratory

27

Introducing the University of Texas Open Source Program Office

Angela Newell1, Jennifer Schopf2, Michael Shensky3, and James Howison4
1. Open Source Program Office, The University of Texas at Austin
2. Texas Advanced Computing Center, The University of Texas at Austin
3. University of Texas Libraries, The University of Texas at Austin
4. School of Information, The University of Texas at Austin

28

ParaMonte: A High-Performance Serial/Parallel Stochastic Integration Library for R, Python, MATLAB, Fortran, C++, and C

Joshua A. Osborne1, Fatemeh Bagheri1, Nabin Chapagain1, and Amir Shahmoradi1,2
1. Department of Physics, College of Science, The University of Texas at Arlington
2. Data Science Program, College of Science, The University of Texas at Arlington

29

Coupled Magnetic Domain Wall Oscillations for Neuromorphic Lateral Excitation Behavior in Periodic Ferromagnetic Nanowire Arrays

Jiwoo Park, Vivian Rogers, and Jean Anne C. Incorvia
Chandra Department of Electrical and Computer Engineering, The University of Texas at Austin

30

Medical Data Augmentation via ChatGPT: A Case Study on Medication Identification and Medication Event Classification

Shouvon Sarker, Xiangfang Li, Xishuang Dong, and Lijun Qian
CREDIT Center, Prairie View A&M University

31

What Happens When SAV Fleets Compete: A Fare-Based Analysis

Balasubramanian Sambasivam1, Krishna Murthy Gurumurthy2, and Kara M. Kockelman1
1. Department of Civil, Architectural and Environmental Engineering, The University of Texas at Austin
2. Transportation and Power Systems Division, Argonne National Laboratory

32

Machine Learning for Myocardium Material Model Form Determination

Christian Goodbrake, Benjamin Thomas, and Michael Sacks
James T. Willerson Center for Cardiovascular Modeling & Simulation, and Oden Institute for Computational Engineering & Sciences, The University of Texas at Austin

33

Distinguishing Gravitational Wave Parameter Markers: Eccentricity vs Precession

Snehal Tibrewal, Hector Iglesias, Jacob Lange, Deborah Ferguson, and Deirdre Shoemaker
Center for Gravitational Physics and Department of Physics, The University of Texas at Austin

34

Graph Theory Modeling on the BrainMap Community Portal: Network Topology Reveals a Central Role for the Medial Frontal Gyrus in Mesial Temporal Lobe Epilepsy

Jonathan M. Towne1,2, Vahid Eslami3, José E. Cavazos2, and Peter T. Fox1,2
1. Research Imaging Institute, The University of Texas Health Science Center at San Antonio
2. South Texas Medical Scientist Training Program, The University of Texas Health San Antonio
3. Department of Neurology, UCLA Health

35

Machine Learning Approaches for Classifying and Characterizing of Coral Diseases

Emily W. Van Buren1, Kelsey M. Beavers1, Madison Emery1, Nicholas MacKnight2, Jeffery P. Demuth1, Li Wang3, and Laura D Mydlarz1
1. Department of Biology, The University of Texas at Arlington
2. Cooperative Institute for Marine Science and Atmospheric Studies, University of Miami
3. Department of Mathematics, The University of Texas at Arlington

36

Multi-GPU FFT Matvec for Inverse Problems Involving Shift-Invariant Systems

Sreeram Venkat, Milinda Fernando, Stefan Henneking, and Omar Ghattas
Oden Institute, The University of Texas at Austin

37

Investigating Vibrio Cholerae ToxT-Ligand Interactions Using GROMACS

Hugo Villar Castellanos, Ahmed Touhami, and Andreas Hanke
The University of Texas Rio Grande Valley

38

Towards Big Data-empowered In-Silico Clinical Phenotyping using Large-Scale Computational Infrastructure

Andrew Wen, and Hongfang Liu
School of Biomedical Informatics, The University of Texas Health Science Center at Houston

39

A Parallelized Viscous Vorticity Numerical Model for Predicting Propeller Performance in Turbulent Flows

Rui You, and Spyros A Kinnas
Ocean Engineering Group, Department of Civil, Architectural and Environmental Engineering The University of Texas at Austin

40

Exploring the Structure of [Ni(dippe)] Fragment via Molecular Mechanical and Quantum Mechanical Calculations

Jennifer Sanchez1, Dominique Gallegos1, Abdurrahman Cagri Atesin1, William D. Jones2, and Tülay Ateşin1
1. Department of Chemistry, The University of Texas Rio Grande Valley
2. Department of Chemistry, University of Rochester

41

The Lewis Assisted C-CN Bond Activation of Benzonitrile Using Zerovalent Group 10 Metal Complexes with Dippe Ligand

Roberto Escobar1, Abdurrahman Atesin1, William D. Jones2, and Tülay Ateşin1
1. Department of Chemistry, The University of Texas Rio Grande Valley
2. Department of Chemistry, University of Rochester

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