2022 Annual Meeting

Session: Undergraduate Student Poster Session: Computing and Process Control

Presentations

10:00 AM

CFD Analysis of Viscous Models in the Transition Regime
Imidazolium-Based IL Solvent Efficiency over Contaminated Diesel-like Fuel Modeled with Martini 3 CG Molecular Dynamics Simulation
Formalization of Scientific Theories with Interactive Theorem Proving
Automating Protein Engineering: Applications of Computational Methods in Protein Design
Prediction of Mxene 2D Material's Electronic Property Using Machine Learning Tools
A Coarse-Grained Anisotropic Molecular Dynamics Model to Investigate Hydrophobic Ion Pairing Systems of mRNA Lipid Nanoparticles
Application of Geometric Algebra Neural Networks to Molecular Property Prediction
Tuning Simulation Parameters for a Series of Alcohols to Match Experiments
Enabling Molecular Simulations of Proteins with Lipid Anchors
Modeling and Economic Optimization of Solar Power Plant Expansion in West Virginia Using the System Advisor Model (SAM)
Techno-Economic Optimization of a Palladium Membrane Reactor for Steam Methane Reforming Industrial Process
Improving Quantum Mechanical Calculations Using Graph Neural Networks to Predict Energies from Atomic Structures
Modeling and Extrapolation of Pjm Renewable Energy Consumption
Development of Image Analysis Calibration Procedure for in-Situ Crystal Size Measurement
Tmqm++ Dataset and Machine Learning Model Benchmarks
CFD Simulations of the Carotid Artery to Investigate the Connection between Blood Flow Patterns and Stroke
Improvement of Genomic Variant Interpretation in Individuals with Intellectual and Developmental Disabilities Using Deep Learning Methods
Molecular Simulation of per or Polyfluoroalkyl Substances for the Development of an Ideal Separation Media
Application Development for Objective-Based Asset Management of Wastewater Distribution Networks
Hydrophobic Collapse of Alkanes in Water
Design Rules for MOFs As Material for Hydrogen Storage Focusing on the Adsorption Energy Predicted By Machine Learning
Computational Thermodynamic and Kinetic Analysis of Platinum Particle Redispersion in Zeolites
AI/ML Technology for Water Treatment in Oil and Gas Industry
The Multitask Effect in Molecular Deep Learning
Prediction of the HOMO-LUMO Gap Energy of Organic Molecules with Graph Neural Networks
Computational Approach for Predicting Temperature-Dependent Polymer Solubilities
Phenomenological-Based Model and Control Proposal for Sunflower Oil Leaching.
Phenomenological-Bases Model and Control Proposal for a Cooling Tower
A Theoretical and Computational Model for Aquaponics Systems
Utilizing the Euler Characteristic for Extreme Event Detection
Crystal Growth, Interrupted: Studying Solid–Solid Phase Transformations with Self-Assembly Simulations
Application of Computer-Aided Molecular Design to a Pharmaceutical Separation