2022 Annual Meeting

Session: Undergraduate Student Poster Session: Computing and Process Control

Presentations

10:00 AM

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