Our Publications
Explore our work across modelling, intelligent systems and chemical engineering.
2026
15Enabling Bioprocess Upscaling Prediction Through Hybrid Modelling and Transfer Learning Under Small‐Data Scenarios
Automated Data‐Efficient Symbolic Regression for Interpretable Bioprocess Model Development
Advancing Catalytic Reaction Rate Model Development with Physics-Guided Hybrid Modeling
A Data-Efficient Symbolic Regression Framework for Automated Interpretable Bioprocess Modelling
A Data-Efficient Framework for Automated Identification of Reaction Networks and Interpretable Rate Models
Data-driven digitalisation of batch operations through automated reconstruction and clustering of process flow diagrams
From Feasible to Practical: Pareto-Optimal Synthesis Planning
Modelling Anaerobic Co-Digestion with Agricultural Feedstock: Model Validation and Cross-Reactor Verification
Improving Fidelity and Diversity in Chemical Language Transformers for Inverse Molecular Design
A Novel Bioprocess Control Strategy Under Uncertainty via Operational Space Identification
A Surrogate-Enhanced Framework for flexible and optimal operational space identification under uncertainty
Machine Learning‐Enhanced Hybrid Modeling for Phenotype Prediction and Bioreactor Optimization
Anaerobic digestion site-wide optimisation and decision-making: An industrial perspective and review
Physics Informed Symbolic Regression for Data-Efficient Kinetic Model Discovery
2025
27Extracting microkinetic insights from macroscopic measurements: A power law modelling framework for catalytic reaction mechanism analysis
Geometry-Conditioned Graph Neural Networks for Spray Prediction
Reinforcement learning for efficient and robust multi-setpoint and multi-trajectory tracking in bioprocesses
Reinforcement Learning for Robust Dynamic Metabolic Control
Developing a Hybrid Modeling Framework for Enhanced Prediction in Chemical Reaction Kinetics
Interpretable‐AI‐Based Model Structural Transfer Learning to Accelerate Bioprocess Model Construction
CFD Simulations of Mixing Dynamics and Photobioreaction Kinetics in Miniature Bioreactors under Transitional Flow Regimes
Computational Assessment of Molecular Synthetic Accessibility using Economic Indicators
Hybrid Modelling for Reaction Network Simulation in Syngas Methanol Production
Machine Learning-Aided Robust Optimisation for Identifying Optimal Operational Spaces under Uncertainty
Optimization-based operational space design for effective bioprocess performance under uncertainty
Physics-Informed Automated Discovery of Kinetic Models
Real-time dynamic optimisation for sustainable biogas production through anaerobic co-digestion with hybrid models
Integrating feature attribution and symbolic regression for automatic model structure identification and strategic sampling
A novel approach to identify optimal and flexible operational spaces for product quality control
Accelerating bioprocess digital twin development by integrating hybrid modelling with transfer learning
MolPrice: Assessing Synthetic Accessibility of Molecules based on Market Value
Bioprocess modelling assisted analysis of light and temperature effects on Dunaliella tertiolecta’s growth in bicarbonate/carbonate medium for algae-based carbon capture
Breaking barriers to modelling biotechnologies with machine learning
CFD predictive simulations of miniature bioreactor mixing dynamics coupled with photo-bioreaction kinetics in transitional flow regime
Exploring Benefits and Concerns of Incorporating Digital Tools into Engineering Education
Assessing Molecular Synthetic Accessibility with Economic Indicators
Combining hybrid modelling and transfer learning to simulate fed-batch bioprocess under uncertainty
Enhancing reinforcement learning for population setpoint tracking in co-cultures
Geometry-conditioned graph neural networks for multiphase flow in complex geometries
Machine Learning-Driven Optimisation of Operational Spaces for Uncertainty Management in Process Industries
Steering Retrosynthetic Planning Towards Chemical Engineering-a Multi-Objective Approach
2024
17Integrating knowledge-guided symbolic regression and model-based design of experiments to automate process flow diagram development
Synergistic interplay of photobioreactor mixing and static mixer configuration on Rhodoseupdomonas palustris’s growth and biohydrogen production
A multiscale hybrid modelling methodology for cell cultures enabled by enzyme-constrained dynamic metabolic flux analysis under uncertainty
Simplest Mechanism Builder Algorithm (SiMBA): An Automated Microkinetic Model Discovery Tool
Cracking the physical insight of power law models: Bridging the gap between macroscopic kinetics and surface coverages
A review and perspective on hybrid modeling methodologies
Integrating transfer learning within data-driven soft sensor design to accelerate product quality control
Constructing a Symbolic Regression-Based Interpretable Soft Sensor for Industrial Data Analytics and Product Quality Control
Automated Discovery of the Smallest Feasible Reaction Mechanism
Bayesian Hybrid Models for Simulation of Microbial Biohydrogen Photo-Production Processes
Dynamic Multiscale Hybrid Modelling of a CHO cell system for Recombinant Protein Production
Dynamic photo-mechanistic modelling of biomass growth and optical density for the cyanobacterium Synechococcus sp. PCC 11901
Integrating Knowledge-Guided Symbolic Regression and Model-Based Design of Experiments to Accelerate Process Flow Diagram Development
Investigating the reliability and interpretability of machine learning frameworks for chemical retrosynthesis
Optimal feed scheduling and co-digestion for anaerobic digestion sites with dynamic demands
Simplest Mechanism Builder Algorithm (SIMBA)
The automated discovery of kinetic rate models – methodological frameworks
2023
15A Data-efficient Transfer Learning Approach for New Reaction System Predictive Modelling
Constructing Time-varying and History-dependent Kinetic Models Via Reinforcement Learning
Data-driven Model Construction
Hybrid Model Construction
Hybrid Modelling Under Uncertainty: Effects of Model Greyness, Data Quality and Data Quantity
Machine Learning and Hybrid Modelling for Reaction Engineering: Theory and Applications
Physical Model Construction
Reaction Network Simulation and Model Reduction
Towards industrial biological hydrogen production: a review
A CFD coupled photo-bioreactive transport modelling of tubular photobioreactor mixed by peristaltic pump
Integrated experimental and photo-mechanistic modelling of biomass and optical density production of fast versus slow growing model cyanobacteria
Investigating ‘greyness’ of hybrid model for bioprocess predictive modelling
Integrating hybrid modelling and transfer learning for new bioprocess predictive modelling
Investigating physics-informed neural networks for bioprocess hybrid model construction
Symbolic regression based interpretable data-driven soft-sensor for process quality control
2022
16A reinforcement learning‐based hybrid modeling framework for bioprocess kinetics identification
A feasible path-based branch and bound algorithm for strongly nonconvex MINLP problems
Integrating Autoencoder and Heteroscedastic Noise Neural Networks for the Batch Process Soft-Sensor Design
Distributional Reinforcement Learning for Scheduling of Chemical Production Processes
An MIQP framework for metabolic pathways optimisation and dynamic flux analysis
Chance constrained policy optimization for process control and optimization
Data-driven optimization for process systems engineering applications
Safe chance constrained reinforcement learning for batch process control
A novel hybrid algorithm for scheduling multipurpose batch plants
Automated Kinetic Rate Equation Discovery–a Methodological Framework
Constraint-Dropping in Cutting-Set Based Robust Optimization: Enabling Robust Heat Pump Allocation
Distributional Reinforcement Learning for Chemical Production Scheduling and Supply Chain Optimization
Industrial data science – a review of machine learning applications for chemical and process industries
Insights into Nonconvex Robust Optimization for Chemical Engineering Applications
Kinetic modelling of γ-linolenic acid production by Cunninghamella echinulata
Knowledge-guided Hybrid Approach for Scheduling Multipurpose Batch Plants
2021
11A two-step multivariate statistical learning approach for batch process soft sensing
A transfer learning approach for predictive modeling of bioprocesses using small data
Constrained model-free reinforcement learning for process optimization
Kinetic and hybrid modeling for yeast astaxanthin production under uncertainty
Dynamic modelling of Rhodopseudomonas palustris biohydrogen production: Perturbation analysis and photobioreactor upscaling
Machine learning for biochemical engineering: A review
An integrated dimensionality reduction and surrogate optimization approach for plant‐wide chemical process operation
Using process data to generate an optimal control policy via apprenticeship and reinforcement learning
Synergising biomass growth kinetics and transport mechanisms to simulate light/dark cycle effects on photo‐production systems
Constrained Q-Learning for Batch Process Optimization
Model-free safe reinforcement learning for chemical processes using Gaussian processes
2020
7Stochastic data-driven model predictive control using gaussian processes
Combining model structure identification and hybrid modelling for photo‐production process predictive simulation and optimisation
Superstructure Reaction Network Design for the Synthesis of Biobased Sustainable Nitrogen-Containing Polymers
Reinforcement learning for batch bioprocess optimization
An adaptive data-driven modelling and optimization framework for complex chemical process design
Constrained Reinforcement Learning for Dynamic Optimization under Uncertainty
Surrogate Modelling and Optimization for Complex Liquefied Natural Gas Refrigeration Cycles
2019
4Comparison of physics‐based and data‐driven modelling techniques for dynamic optimisation of fed‐batch bioprocesses
Hybrid physics‐based and data‐driven modeling for bioprocess online simulation and optimization
CFD and kinetic‐based modeling to optimize the sparger design of a large‐scale photobioreactor for scaling up of biofuel production
Reinforcement Learning for Batch-to-Batch Bioprocess Optimisation
2018
10Review of advanced physical and data‐driven models for dynamic bioprocess simulation: Case study of algae–bacteria consortium wastewater treatment
Deep learning‐based surrogate modeling and optimization for microalgal biofuel production and photobioreactor design
Dynamic modeling and optimization of sustainable algal production with uncertainty using multivariate Gaussian processes
Photocatalytic Production of Bisabolene from Green Microalgae Mutant: Process Analysis and Kinetic Modeling
Life cycle assessments for biomass derived sustainable biopolymer & energy co-generation
Two-Phase Flow Modeling of Solid Dissolution in Liquid for Nutrient Mixing Improvement in Algal Raceway Ponds
Life cycle assessments of bio-based sustainable polylimonene carbonate production processes
Production of renewable biohydrogen by Rhodobacter sphaeroides S10: A comparison of photobioreactors
A Bilevel Programming Approach for the Dynamic Optimization of Cyanobacterial C-phycocyanin Production under Uncertainty
A Bilevel Programming Approach to Optimize C-phycocyanin Bio-production under Uncertainty
2017
6Dynamic modeling of green algae cultivation in a photobioreactor for sustainable biodiesel production
Overproduction of L‐tryptophan via simultaneous feed of glucose and anthranilic acid from recombinant Escherichia coli W3110: Kinetic modeling and process scale‐up
Sustainable biopolymer synthesis via superstructure and multiobjective optimization
An efficient model construction strategy to simulate microalgal lutein photo‐production dynamic process
Screening Synthesis Pathways for Biomass-Derived Sustainable Polymer Production
Kinetic modeling and process analysis for Desmodesmus sp. lutein photo‐production
2016
3Model-based real-time optimisation of a fed-batch cyanobacterial hydrogen production process using economic model predictive control strategy
Dynamic modeling and optimization of cyanobacterial C-phycocyanin production process by artificial neural network
Dynamic modelling of Haematococcus pluvialis photoinduction for astaxanthin production in both attached and suspended photobioreactors
2015
8Dynamic Simulation and Optimization for Arthrospira platensis Growth and C-Phycocyanin Production
Chlamydomonas reinhardtii Metabolic Pathway Analysis for Biohydrogen Production under Non-Steady-State Operation
Dynamic modelling of high biomass density cultivation and biohydrogen production in different scales of flat plate photobioreactors
Optimal Operation Strategy for Biohydrogen Production
Analysis of green algal growth via dynamic model simulation and process optimization
Analysis of the cyanobacterial hydrogen photoproduction process via model identification and process simulation
Modelling of light and temperature influences on cyanobacterial growth and biohydrogen production
Modelling light transmission, cyanobacterial growth kinetics and fluid dynamics in a laboratory scale multiphase photo-bioreactor for biological hydrogen production
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