Physical Sciences and Mathematics Commons^™

Resource Efficient Design Of Quantum Circuits For Quantum Algorithms, Himanshu Thapliyal

Commonwealth Computational Summit

No abstract provided.

Additional Data Via Autonomous Systems To Supplement Traditional Sparse Sources For Weather Forecasting And Atmospheric Science, Suzanne Weaver Smith

Commonwealth Computational Summit

No abstract provided.

Integrative Computational Modeling For Developing Means To Manipulate Biological Cells And For Solving Complex Engineering Problems, Yu Zhao, Guigen Zhang

Commonwealth Computational Summit

A brief discussion on reductive vs integrative investigation

A case study: how integrative computational modeling helps advance the understanding and application of dielectrophoresis (DEP) in various situations

Other applications in advancing the design and development of nanopore, medical devices, novel materials, actuation devices, and coupled spectroscopic techniques, etc.

Parallelization Of A Three-Dimensional Full Multigrid Algorithm To Simulate Tumor Growth, Dylan Goodin, Chin F. Ng, Hermann B. Frieboes

Commonwealth Computational Summit

We present the performance gains of an openMP implementation of a fully adaptive nonlinear full multigrid (FMG) algorithm to simulate three-dimensional multispecies desmoplastic tumor growth on computer systems of varying processing capabilities. The FMG algorithm is applied to solve a recently published thermodynamic mixture model that uses a diffuse interface approach with fourth-order reaction-advection-diffusion PDEs (Cahn-Hilliard-type equations) that are coupled, nonlinear, and numerically stiff. The model includes multiple cell species and extracellular matrix (ECM), with adhesive and elastic energy contributions in chemical potential terms, as well as including blood and lymphatic vessels represented as continuous vasculatures. Advection-reaction-diffusion PDEs are employed …

The Effect Of Inlet Pulsations On Primary Atomization Of Liquid Jets, Kyle Windland, Prashant Khare

Commonwealth Computational Summit

Objectives

• Elucidate the physics underlying the primary atomization of liquid jets.
• Investigate the effect of inlet pulsations on the atomization process.
• Identify the reliability of numerical predictions using uncertainty quantification techniques (UQ) and sensitivity analyses.

Computational Materials Characterization, Discovery, And Design With High Performance Computing, Qunfei Zhou, Xiaotao Liu, Tyler Maxwell, Thomas John Balk, Matthew J. Beck

Commonwealth Computational Summit

No abstract provided.

Integrative Computational Modeling For Developing Means To Manipulate Biological Cells And For Solving Complex Engineering Problems, Yu Zhao, Guigen Zhang

Commonwealth Computational Summit

Computational modeling has become more widely used to guide the design of microfluidic devices for manipulating cells using Dielectrophoresis (DEP), and devise novel means for advancing the study of cellular science and engineering. Conventionally, cells are treated as volumeless points in the system, which allows study of the movement of groups of particles under the effect of field. However, this approach often neglects the distortion effect of particle on external field, as well as interactions among particles. Moreover, it ignores the complex inner structures of cell, which are the causes of distinctive cell behavior. To more accurately model the behavior …

High-Fidelity Simulations Of Water Jet In Air Crossflow, Austin Johnston, Prashant Khare

Commonwealth Computational Summit

Objectives

• Investigate detailed physics underlying liquid jets in crossflow configurations applicable to various applications such as, gas-turbine, scramjet, and afterburner fuel injection.
• Develop models to predict the statistical behaviors of resulting droplets.

Investigation Of Photo-Responsive Titania Surfaces, Evan Hyden, Matthew J. Beck

Commonwealth Computational Summit

Titania (TiO₂) is an oxide commonly used for photocatalysis. This proclivity to form free radicals when exposed to light has also prompted interest in applying porous TiO₂ as a reactive/responsive membrane. Surfaces of both main polymorphs of TiO₂ (especially rutile {110} and anatase {101}) have been shown to be stable and photo-active.

Polyacrylic acid (PAA) is a molecule of interest as changes in pH can cause the molecule to contract or expand, due to changes in the charge distribution relating to the carboxyl group. Due to TiO₂’s ability to generate photocarriers, we hypothesize that …

Using Explainability For Constrained Matrix Factorization, Behnoush Abdollahi, Olfa Nasraoui

Commonwealth Computational Summit

Explainable Model

• Black Box (opaque) predictors such as Deep learning and Matrix Factorization are accurate,
• ... but lack interpretability and ability to give explanations.
• White Box models such as rules and decision trees are interpretable (explainable),
• ... but lack accuracy.