Smart Process Engineering Laboratory 스마트공정공학 연구실 · KAIST

Research

SPEL aims to accelerate the transition to a sustainable future by developing innovative computational tools. We build creative computational methods using process systems engineering — optimization, simulation, control, and machine learning — that make a positive impact across a range of industries. Click on an area below for more detail.

Energy Storage

Electrochemical Energy Storage

Electrochemical Energy Storage

We address battery lifetime prediction and operational reliability through integrated approaches that combine physics-based modeling with careful feature engineering and machine learning transfer techniques. This enables models to respect physical laws while adapting across different battery chemistries, formats, and usage patterns — tackling the heterogeneous, incomplete, and event-driven nature of field data to improve uncertainty quantification in remaining-useful-life estimates. Our work produces non-invasive diagnostics and digital representations revealing thermal dynamics, aging precursors, and optimal charging approaches within practical constraints.

Electrochemical Energy Storage
  • Data Management — build standardized, cross-chemistry datasets and robust health indicators from noisy field logs.
  • Advanced Modeling — embed electrochemical constraints and transfer models across cells, packs, and use cases.
  • Predictive Analytics — quantify prediction intervals for RUL/SOH and propagate to risk-aware maintenance.
  • System Optimization — link diagnostics to charging, warranty, and asset-management policies.

Associated members: Sangjun Jeon, Yooil Son

Hydrogen & Energy Systems

Hydrogen & Sector-Coupled Energy Systems

Hydrogen & Sector-Coupled Energy Systems

Hydrogen production from renewable sources faces obstacles including high costs, infrastructure limitations, and significant uncertainty from weather patterns and market volatility. Our approach integrates process-level physics with economic investment and operational models, examining how grid-scale batteries can improve performance. Using scenario-based and stochastic optimization, we develop strategies that maintain cost-effectiveness despite variability while revealing where policy support provides maximum benefit. Our broader vision extends to coordinating electricity, heating, and transportation systems for a sustainable energy transition.

Hydrogen & Sector-Coupled Energy Systems 1 Hydrogen & Sector-Coupled Energy Systems 2
  • Techno-economic Assessment — compare renewable H₂ pathways and levelized costs under weather/price variability.
  • Infrastructure & Siting — optimize pipelines, storage, and ports with spatial constraints and permitting limits.
  • Electrolyzer–Battery Dispatch — co-optimize sizing and market participation for reliability and cost.
  • Sector Coupling & Planning — integrate electricity–heat–transport for robust decarbonization roadmaps.

Associated members: Sunwoo Kim, Hana Kim, Hae Yong Jung, Byoungyoun Lee

Separation

Membrane & Separation Processes

Membrane & Separation Processes

We address challenges in membrane processes used for water treatment and carbon capture by combining computational fluid dynamics with physics-informed neural networks to better understand flow dynamics in spacer-filled channels. This approach enables optimization of spacer geometry and operating conditions while balancing flux, energy consumption, and fouling resistance. Our models support digital-twin development that translates insights from channel-scale studies into practical guidance for module and plant-level operations.

Membrane & Separation Processes 1 Membrane & Separation Processes 2
  • CFD → PINN Workflow — generate channel-level datasets and train PINNs that respect continuity/momentum constraints.
  • Geometry & Operation Optimization — co-design spacer patterns and operating windows for flux, pressure drop, and fouling risk.
  • Risk & Sustainability — predict fouling/cleaning trade-offs and connect to TEA/LCA for process-level decisions.
  • Digital Twin & Scale-up — translate channel models to module/system design and real-time monitoring.

Associated members: Sungjin Bae, Jongwoo Kim

AI & Process Design

Process Systems Synthesis & AI-Driven Design

Process Systems Synthesis & AI-Driven Design

We integrate design and operational considerations rather than optimizing them sequentially. We construct comprehensive superstructures that enumerate possible units, pathways, and connections, then solve mixed-integer nonlinear programs to identify reconfigurable networks capable of operating across diverse conditions. Our methodology employs inverse-design and Bayesian-optimization techniques to guide discovery while minimizing computational requirements; decomposition and convexification maintain mathematical tractability. Planning and scheduling components ensure strategic designs accommodate real-world constraints including maintenance and logistics — producing flowsheets that are optimal on paper, resilient in practice, and defensible economically and environmentally under uncertainty.

Process Systems Synthesis & AI-Driven Design
  • Superstructure Enumeration — encode alternatives for units, connections, and recycle structures.
  • MINLP/MILP & Decomposition — exploit convexification, cuts, and hierarchical strategies for tractable solves.
  • Bayesian Inverse Design — learn surrogate objectives/constraints and search flowsheets efficiently.
  • Planning & Scheduling — couple strategic designs to production/maintenance under uncertainty.

Associated members: Naeun Choi, Sunwook Kim, Hyunji Kwon

Design, Control & AI

Graph-Theoretic Co-Design and AI-Augmented Optimization

Graph-Theoretic Co-Design and AI-Augmented Optimization

This research develops automated, graph-theoretic methods for simultaneous process design and control structure selection, addressing the operational risks of narrow safety margins in sequentially optimized designs. It also develops an AI-augmented stochastic optimization framework for large-scale energy systems—multi-microgrids, electricity markets, hydrogen systems—where AI supports decomposition, tuning, and initialization while stochastic optimization remains the core decision-making backbone, improving computational efficiency and scalability.

Graph-Theoretic Co-Design and AI-Augmented Optimization 1 Graph-Theoretic Co-Design and AI-Augmented Optimization 2
  • Graph-Based Co-Design — variable-equation graphs and I/O path analysis to jointly determine process design and control configurations.
  • Hierarchical Validation — clustering controllers and subnetworks, validated through plant-wide case studies.
  • Uncertainty-Aware Decomposition — using variable-constraint coupling under uncertainty to divide large stochastic problems.
  • AI-Guided Verification — AI-recommended decomposition and tuning, accepted only after feasibility checks, with fallback to baseline methods.

Associated members: Ji Hee Kim, Yoojung Yoon