2025 AIChE Annual Meeting

Session: Undergraduate Student Poster Session: Computing and Process Control

One of nine student poster sessions.

Presentations

Thermal Modeling of Si?N? Photonic Integrated Circuits for Low-Power Data Interconnects
Automation of Continuous Albuterol Synthesis
Machine Learning Models for Catalytically Relevant Transition Metal Carbide Surfaces
Using DFT to Investigate the Energetics of Oxygen Vacancies on the Adsorption of H2 on Titanium Oxide Surfaces
Predictive Modeling of Biofuel Properties Using Machine Learning Approaches
Data-Driven Synthesis of Nonlinear State Observer for Autonomous Limit Cycle Systems through Estimation of Koopman Eigenfunctions
A Modular Digital Twin for Autonomous Crystallization Experiments: AI-Based Image Analysis, Process Control, and Automation
Using CFD to Analyze Fluid Flow and Particle Size in a Latex Mixing Tank
Using CFD to Model Fluid Flow in Steam Ejector
CFD Models of Non-Newtonian Power Law Fluids in a Baffled Stirred Tank
A Computational Study of Tunable Properties of the Two-Dimensional Material Sb2Te3 through Controlled Cr Doping: Insights for Next-Generation Thermoelectrics Design
Reinforcement Learning-Based Control for Inverted Pendulum System – Computational Study and Hardware Validation
Htchem: A High-Throughput Workflow for Reaction Network Expansion Integrating Automated Quantum Chemistry
A Comprehensive Numerical Experiment on Flow Around a Flat Plate in the Whole Range of Laminar Flow
Computational Investigation of Solubility and Solvation Energetics of Estradiol Using Molecular Dynamics
Automated Flow Engineering for the Controlled Fabrication of Complex Microstructures
Computational Study of Low Temperature Dithiocarbamate Decomposition with Butylamine and Butanethiol for Nanocrystal Applications
Learning Transferable Zeonet Representations Using 3D U-Nets
Accurately Predicting Solubility Curves Via a Thermodynamic Cycle, Machine Learning, and Solvent Ensembles
Applications of Economic Model Predictive Control to Process Scheduling
Implementation of Y-Wise Affine Neural Networks in Nonlinear Model Predictive Control Approximation
Predictive Modeling to Measure Chemical Decay in Roasted Coffee
De Novo Design of Metalloclickases
Improving the Efficiency of Machine-Learned Interatomic Model for Condensed Phase Reacting Nitrogen Systems
Bridging Visual Chemistry and Language Intelligence: Extracting Scattered Information from Chemical Reaction Mechanism Images into Structured Data
Molecular Modeling of Polypeptide Candidates for Nanoplastic Removal from Water
Gas Void Fraction Prediction in Two-Phase Flows Using Decision Tree and Random Forest Machine Learning Models
Insights into Collagen-Hydroxyapatite Interactions Using Molecular Dynamics Simulations
Data-Driven Modeling and Predictive Control of Proton Exchange Membrane Water Electrolyzers for Green Hydrogen Production
Predicting Personalized Myocardial Fibrosis Response Patterns Using a Mechanistic Signaling Network Model
Process Design and Techno-Economic Analysis of Sustainable Xylitol Production Using Biosteam
Recovering Grid Flexibility By Mixing Structured Protocols across Parallel Electrochemical Devices
A Lightweight, Open-Source Web Application to Simulate the Equilibrium and Inhibition of Clathrate Hydrates Using Existing Models and Techniques.
Deep Learning Approaches for Voltammetric Analysis of Coffee
Design and Analysis of Energy Recovery Methods for Reduced Aircraft Emissions
A Probabilistic Approach to Multiscale Simulation: Evaluating Machine-Learned Backmapping Models of Diphenylalanine
Iteratively Refined Ensemble Mlips for Aqueous Metal Oxide Molecular Dynamics
Modeling Crosslinked Thiol-Yne Polymerizations
Rationalizing Specific Ion Effects in Electrochemical Nitrate Reduction Using Machine Learning Potential Simulations
Electrochemical Quantification of Pharmaceuticals in Complex Biofluid with Machine Learning
Machine Learning Approaches for Reliability Prediction in Wastewater Pipeline Networks
Mathematical Modeling of Flushing Dynamics in Lubricant Oil Changeovers