2023 AIChE Annual Meeting

Session: Meet the Industry Candidates Poster Session: Computing And Systems Technology Division

Co-Chairs

Stefanos Baratsas, ExxonMobil

Presentations

01:00 PM

(147k) Machine Learning-Based Prediction of Thermal Conductivity in Metal-Organic Frameworks
Meiirbek Islamov
(147a) Influence of Mass Transfer for the Transient Response of Ultra-Microelectrodes to Potential and Current Transients
Cynthia Ezeh, Yunhan Chuai, Kevin Otto, Mark E. Orazem
(147c) Molecular Models to Predict the Influence of Templating Molecules on the Structure and Organization of Zeolites
Xuyao Gao
(147d) Accelerating Digitalization Via Advanced Optimization, Machine Learning, and Simulation Techniques
Pengfei Cheng
(147e) Machine Learning Scientist, Especially for Chemicals, Materials, Multi-Omics, Health, and Environment.
Prateek Verma
(147f) Quantifying Synergy for Mixtures of End-Scission and Random Scission Catalysts in Polymer Upcycling
Ziqiu Chen, Baron Peters
(147g) Development of Algorithms for Identification of Sparse Dynamic Models with Mass and Energy Conservation from Noisy Data
Samuel Adeyemo
(147i) Advances in Next Generation Cyber-Physical Systems: Cybersecurity, Quantum Computing, and Smart Material Design
Keshav Kasturi Rangan, Helen Durand
(147j) Bridging Thermal and Electrochemical Catalysis: Rational Catalyst Design at Atomic Scales through Physical and Machine-Learning Based Insights
Shyam Deo
(147ac) Empowering Molecular Simulations with Machine Learning to Understand and Engineer Molecular Systems
Siva Dasetty
(147l) Modeling Kerogen Flexibility upon Gas Adsorption Using Osmotic Ensemble Simulations
Shivam Parashar, Peter Ravikovitch, Alexander Neimark
(147m) Control Advances for Dynamic Cyber-Physical Systems Incorporating Structural Simulation Methods and Quantum Computation
Kip Nieman, Helen Durand
(147n) Hybrid Grey-Box Modeling and Estimation for Condition Monitoring of Complex Dynamics Energy Systems
Vivek Saini
(147o) A Novel Framework for Design of Net-Zero Chemical Systems: Analysis and Results
Amrita Sen, Vyom Thakker, George Stephanopoulos, Bhavik Bakshi
(147p) State Estimation and Cost Optimal Sensor Network Design for Electrochemical Sensor Based Corrosion Monitoring
Chandra Sekhar Somayajula
(147q) Optimization-Based Strategies for Decarbonization of Energy Systems
Kaiyu Cao
(147am) Simulation, Optimization, and Machine Learning Methods for Sustainable Process and Supply Chain Design
Yuqing Luo, Marianthi Ierapetritou
(147ad) Path-Sampling and Machine Learning for Rare Un-postulated Abnormal Events
Vikram Sudarshan
(147t) Computational Exploration of Single Atom Catalysts Supported on Metal Oxides for Sustainable Hydrogenation Reactions
Jeremy Hu
(147af) Molecular Modeling and Machine Learning-Based Design and Discovery of Nanoporous Material for Energy and Environmental Applications
Krishnendu Mukherjee
(147ag) Analysis and Optimal Design of Membrane Processes for Flue Gas CO2 Capture
Qinghua Li
(147ah) Machine Learning Enabled Development of Accurate Force Fields for Refrigerants
Montana Carlozo, Ning Wang, Eliseo Marin Rimoldi, Bridgette Befort, Alexander Dowling, Edward Maginn
(147ai) Measure This, Not That: Pareto Optimal Trade-Offs between Model-Based Information Content and Measurements Budget
Alexander Dowling, Jialu Wang
(147aj) Effective Control of High Temperature Steam Electrolyzer Modules That Use Variable, Renewable Electricity
Jake Immonen, Kody Powell
(147ak) Understanding Chromatographic Retention and Fluid Phase/Sorption Equilibria By Molecular Simulations and Thermodynamic Modeling
Chun-Kai Chang
(147r) Techniques to Assist the Human-in-the-Loop in Type-1 Diabetes and Smart Manufacturing
Mrunal Sontakke, B. Wayne Bequette
(147s) Data Analytics Enabled High Throughput Material Discovery and Computational Analyses for Membrane Innovations
Xinhong Liu
(147ae) Data-Driven Process Monitoring and Control for Smart Manufacturing
Lucky Yerimah, B. Wayne Bequette
(147u) Optimization-Based Strategies for Spectral Analysis and Kinetic Modeling
Thomas Krumpolc, Daniel W. Trahan, Xiaoyun (Shawn) Chen, Lorenz T. Biegler
(147v) Enhancing Feature Engineering and Machine Learning through Systems Engineering for Improved Diagnosis: Case Studies in Speech Disorder and Autism Spectrum Disorder
Q. Peter He, Farnaz Yousefi Zowj
(147w) Rational Design of Low-Dimensional Catalysts Using First Principles Methods for CO2 Reduction to C1 Products
Lavie Rekhi, Tej Choksi
(147x) Evaluating Impacts of Carbon Taxes on the Economic Viability and Carbon Footprint of Plastic Production Pathways
Bo-Xun Wang, Victor M. Zavala
(147y) Development of Mathematical Programming Models for the Synthesis of Reactor Networks
Arthur Eduardo Pastore De Lima
(147z) Harnessing Molecular Simulations and Machine Learning to Predict Macromolecular Properties and Drive Efficient Polymer Recycling
Maria Ley Flores, Juan J. de Pablo
(147aa) Nonconvex Optimization Problems Involving the Euclidean Distance
Nikolaos Sahinidis, Anatoliy Kuznetsov
(147ab) Tuning Strategy for a Multi-Objective Model Predictive Control for Cost and Emissions Optimization of Heat Pump Water Heaters
Loren dela Rosa, Caton Mande, Matthew Ellis