XSEDE EMPOWER Positions

Please note that XSEDE EMPOWER ended with the conclusion of the XSEDE project on August 31, 2022. The following information is provided for archival purposes only.

This page provides a listing of positions that are under review for the next iteration of the program, as well as those that have been approved for current and previous iterations of the program. As part of the review and approval process, accepted student applicants are associated with an approved position.

If you are intending to mentor a student, you should create a position. If you also have a student in mind with whom you want to work, that student should submit an application. If you intend to mentor multiple students, please create a separate position for each student.

Project Title / Status	Summary	Creator / Institution
Simulation of Energy Transport and Conversion in Nano Materials Completed	This undergraduate student experience will involve developing parallel numerical codes for the simulation of energy transport and conversion in nanostructured semiconductor materials and devices. We will then proceed to study nanostructured thermoelectric devices for energy conversion with the goal of improving energy conversion efficiency and energy performance in nanoelectronics.	Zlatan Aksamija University of Massachusetts-Amherst Amherst, MA
Deep Learning for Informatics Completed	The student intern will learn and practice deep learning methods and strategies under supervision. In particular, the student will work on training deep neural networks with medical and biomedical informatics data.	Xinlian Liu Hood College Frederick, MD
Parallel Cache Oblivious Data Structures and Algorithms Completed	Students will be working on building a library of cache-oblivious data structures and measuring the performance under different workloads. We will first implement serial versions of the algorithms, and then implement the parallel version of several known cache oblivious data structures and algorithms.	Michael Shah Northeastern University Boston, MA
Learning from Synthetic Image Data Completed	Training and testing deep learning models typically require a large amount of labeled data. However, annotating data is a time-consuming and labor-intensive task which has long been performed manually. In this project, we plan to investigate automated approaches to generating synthetic labeled image data for training deep learning models with minimum human intervention. We will examine the effectiveness of the use of synthetic data in image classification, segmentation, and/or object detection applications.	Hao Ji California State Polytechnic University-Pomona Pomona, CA
3D PLUTO Simulations of Magnetized Massive-star Winds Completed	Massive stars are the progenitors of supernovae, neutron stars and black holes, and they are critical to the evolution of galaxies. Almost 10% of massive stars have strong, bipolar magnetic fields. These stars are thought to be the progenitors of highly magnetic neutrons stars (magnetars). This project aims to realistically model the mass outflows from these magnetic massive stars. We will use the PLUTO code with Chombo-3.2 adaptive mesh refinement and HDF5 libraries to numerically model these single and binary star systems.	Marc Gagne West Chester University of Pennsylvania West Chester, PA
Cognitive Sensing for Robot-human Interaction Completed	This is follow-up research of facial expression recognition and object tracking. Human-machine (Robot) interaction gains more and more interest recently thanks to the HPC. With face recognition and facial expression recognition, robots can 'feel' the emotions of human beings. In this project, we are investigating more resources (e.g. speech, environment) for improving the interaction between human being and robot. The integration of those resources will be tested in XSEDE HPC.	Jiang Lu University of Houston-Clear Lake Houston, TX
Quantum Simulation of Two-dimensional Materials Completed	In this summer position, the student will simulate two-dimensional materials using time-dependent density functional theory (TDDFT). The goal of the project is to use our in-house TDDFT code NESSIE in order to study the electronic and vibrational properties of graphene nanostructures and their interactions with other materials such as a silicon dioxide substrate.	Zlatan Aksamija University of Massachusetts-Amherst Amherst, MA
Simulations of Carbon Nanotube Polymer Composites for Strain and Damage Sensing Completed	This project will conduct finite element (FE) simulations to predict coupled electro-mechanical responses of carbon nanotube (CNT) reinforced polymer composites for strain and damage sensing applications. Realistic representative volume element (RVE) based on measurable microstructure information will be constructed, and the response will be simulated by concurrent electrical and mechanical FE analyses with the goal of exploring strain and damage sensing capabilities.	Jun Li University of Massachusetts-Dartmouth North Dartmouth, MA
Machine Learning Enhanced Biomedical Image Segmentation and Visualizations Completed	This project will conduct biomedical image segmentation and visualizations enhanced by machine learning techniques. A key challenge in using the X-ray CT imaging technique is to accurately segment material phases in contact so as to faithfully visualize the morphology, which provides the basis for computational modeling or diagnostic analysis.	Jun Li University of Massachusetts-Dartmouth North Dartmouth, MA
High Performance Deep Learning on Spark Completed	We will investigate the performance and the scalability of various machine learning algorithms using Data from Mass Spectrometer on the Spark platform. This study will extend the scope of current mass spectrometer data processing and modeling and evaluate its impacts to healthcare.	Hong Lin University of Houston-Downtown Houston, TX
Electronic Structure Determination of Copper Hyponitrites Completed	Copper hyponitrites are proposed as intermediates in NO reduction, however mechanisms are not well understood. This learner, will use density functional theory to propose electronic structures for a series of copper hyponitrites that have been crystallographically characterized.	S. Chantal E. Stieber California State Polytechnic University-Pomona Pomona, CA
Molecular Mechanisms of HIV-1 Infection Completed	Develop large-scale analysis tools for molecular dynamics simulations. Perform molecular dynamics simulations of HIV-1 relevant systems. Collaborate with biophysical scientist in the design of experiments for the validation of the discoveries.	Juan Perilla University of Delaware Newark, DE
Computational Feedback Control Investigation for the HITSIU Device Completed	The apprentice will be responsible for investigating if feedback control is feasible on the upcoming HITSIU (fusion) experiment using the diagnostic surface probes. The student will use the 3D magnetohydrodynamics (MHD) code, NIMROD, and the full simulated experiment to determine the potential for controlling the magnetic field profile in this device during a plasma discharge. The project will conclude on requirements on experimental hardware and plasma parameters necessary for magnetic field profile control.	Alan Kaptanoglu University of Washington-Seattle Campus Seattle, WA
Researching More Effective Ways to Train Research and HPC Support Specialists Completed	Pomona College already has an HPC Support position that is funded by Hahn grant. The goal is to attract undergraduate students from all disciplines, including humanities, to a typically technical job and train them in all aspects of the job with the goal of assessing the process through their experience. As a result they write blogs, develop their own research projects and form a much more informed opinion on how to approach the job market when the time comes. This is an extension of that effort.	Asya Shklyar Pomona College Claremont, CA
Establishing the Electronic Genome of Functionalized Polycyclic Aromatic Hydrocarbons (PAHs) using High-throughput DFT and Machine Learning Completed	This project has two objectives: 1) generate large amounts of structural and electronic properties data in order to establish the electronic genomes of many functionalized PAHs and 2) utilized the calculated data to generate quantitative structure property relationships using a variety of machine learning algorithms.	Bohdan Schatschneider California State Polytechnic University-Pomona Pomona, CA
High-Throughput Investigation of Organic Molecular Crystal Energy Frameworks an Intermolecular Orbital Overlap. Completed	This position will entail two jobs: 1) calculating the energy frameworks of ~1000 organic molecular crystals using the Hirshfeld surface software, CrystalExplorer and 2) calculating the intermolecular orbital overlap of neighboring molecules in the crystal lattice using fragment orbital density functional theory (FO-DFT). This job will necessitate the coordination of two undergraduate researchers (UGRs) to run the calculations and assemble the data in one file for later analysis using machine learning algorithms.	Bohdan Schatschneider California State Polytechnic University-Pomona Pomona, CA
Performance Tools for Scientific Computing with MPI, OpenACC, and Workflows Completed	Participate in PPerfLab research in developing performance tools for medium to large scale parallel programs. We are developing monitoring tools to provide useful feedback to developers to guide them in addressing performance issues in their code, particularly related to workflows and data movement.	Karen L. Karavanic Portland State University Portland, OR
Replica-Exchange Molecular Dynamics (REMD) Simulations of Highly Ordered Polycyclic Aromatic Hydrocarbon (PAH) Foldamers Completed	This position has three aspects: 1) Assembly of polycyclic aromatic hydrocarbon (PAH) oligomers/polymers in a visualization software package 2) calculation of the native confirmation of the polymer in a solvent box using replica-exchange molecular dynamics software (REMD) and 3) calculation of the intermolecular orbital overlap of neighboring monomers in the oligomer/polymer chain using fragment orbital density functional theory (FO-DFT). This job will necessitate the coordination of two undergraduate researchers (UGRs) to run the calculations and assemble the data in one file for later analysis.	Bohdan Schatschneider California State Polytechnic University-Pomona Pomona, CA
Replica-Exchange Molecular Dynamics (REMD) Simulations of Highly Ordered Polycyclic Aromatic Hydrocarbon (PAH) Foldamers Completed	This position has three aspects: 1) Assembly of polycyclic aromatic hydrocarbon (PAH) oligomers/polymers in a visualization software package 2) calculation of the native confirmation of the polymer in a solvent box using replica-exchange molecular dynamics software (REMD) and 3) calculation of the intermolecular orbital overlap of neighboring monomers in the oligomer/polymer chain using fragment orbital density functional theory (FO-DFT). This job will necessitate the coordination of two undergraduate researchers (UGRs) to run the calculations and assemble the data in one file for later analysis.	Bohdan Schatschneider California State Polytechnic University-Pomona Pomona, CA
MD Simulation and Visualization of Acoustically-Controlled Defect Dynamics in FCC and Si Lattices Completed	The primary goal of this XSEDE EMPOWER apprenticeship is to assist mathematics, computer science and physics faculty in molecular dynamics simulations, visualizations and analyses which track thermally-induced vacancy transitions. Long time-scale MD simulations test long-term defect dynamics in hexagonal, FCC and diamond Si lattices with induced acoustic standing waves and Lennard-Jones (LJ), Stillinger-Weber (SW) or related interatomic potentials. The apprentice will adapt code developed by previous student researchers and faculty in this ongoing research. Testing will occur on a local Linux cluster before large-scale production runs on OSC's Owens and/or NCSA's Blue Waters.	Stephen Harnish Bluffton University Bluffton, OH
Dynamic Mechanisms of Membrane Channel Gating Completed	The Reichow Lab uses cryo-electron microscopy (CryoEM) and molecular dynamics (MD) simulations to understand the fundamental relationship between structure, dynamics and function in complex biomolecular systems. We are keenly interested in understanding how cell-to-cell communication is facilitated and dynamically regulated by a class of intercellular membrane channels, known as gap junctions. We aim to apply GPU-accelerated MD simulations using XSEDE resources to understand the molecular function of these intercellular channels.	Steve Reichow Portland State University Portland, OR
Deep Learning for Informatics Completed	The student intern will learn and practice deep learning methods and strategies under supervision. In particular, the student will work on training deep neural networks with medical and biomedical informatics data.	Xinlian Liu Hood College Frederick, MD
Parallel Cache Oblivious Data Structures and Algorithms Completed	Students will be working on building a library of cache-oblivious data structures and measuring the performance under different workloads. We will first implement serial versions of the algorithms, and then implement the parallel version of several known cache oblivious data structures and algorithms.	Michael Shah Northeastern University Boston, MA