Arkadiusz Chadzynski, Shiying Li, Ayda Grišiūtė, Jefferson Chua, Markus Hofmeister, Jingya Yan, Huay Yi Tai, Emily Lloyd, Yi-Kai Tsai, Mehal Agarwal, Jethro Akroyd, Pieter Herthogs, and Markus Kraft, Data-Centric Engineering 4, 20, (2023).

British imbalance market paradox: Variable renewable energy penetration in energy markets

John Atherton, Markus Hofmeister, Sebastian Mosbach, Jethro Akroyd, Feroz Farazi, and Markus Kraft, Renewable and Sustainable Energy Reviews 185, 113591, (2023).

Marie and BERT ─ A Knowledge Graph Embedding Based Question Answering System for Chemistry

Xiaochi Zhou, Shaocong Zhang, Mehal Agarwal, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, ACS Omega 8(36), 33039-33057, (2023).

British wind farm ESS attachments: curtailment reduction vs. price arbitrage

John Atherton, Jethro Akroyd, Feroz Farazi, Sebastian Mosbach, Mei Qi Lim, and Markus Kraft, Energy & Environmental Science 16, 4020-4040, (2023).

A semantic web approach to land use regulations in urban planning: The OntoZoning ontology of zones, land uses and programmes for Singapore

Heidi Silvennoinen, Arkadiusz Chadzynski, Feroz Farazi, Ayda Grišiūtė, Zhongming Shi, Aurel von Richthofen, Stephen Cairns, Markus Kraft, Martin Raubal, and Pieter Herthogs, Journal of Urban Management 12(2), 151-167, (2023).

The conundrum in smart city governance: Interoperability and compatibility in an ever-growing ecosystem of digital twins

Hou Yee Quek, Franziska Sielker, Jethro Akroyd, Amit Bhave, Aurel von Richthofen, Pieter Herthogs, Claudia Yamu, Li Wan, Timea Nochta, Gemma Burgess, Mei Qi Lim, Sebastian Mosbach, and Markus Kraft, Data & Policy 5, 6, (2023).

Fully Automated Kinetic Models Extend our Understanding of Complex Reaction Mechanisms

Simon D. Rihm, Jiaru Bai, Laura Pascazio, and Markus Kraft, Chemie Ingenieur Technik 95(5), 740-748, (2023).

OntoPESScan: An Ontology for Potential Energy Surface Scans

Angiras Menon, Laura Pascazio, Daniel Nurkowski, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, ACS Omega 8(2), 2462-2475, (2023).

Defining archetypes of mixed-use developments using Google Maps API data

Zhongming Shi, Heidi Silvennoinen, Arkadiusz Chadzynski, Aurel von Richthofen, Markus Kraft, Stephen Cairns, and Pieter Herthogs, Environment and Planning B: Urban Analytics and City Science 50(6), 1607-1623, (2023).

Knowledge Engineering in Chemistry: From Expert Systems to Agents of Creation

Aleksandar Kondinski, Jiaru Bai, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Accounts of Chemical Research 56(2), 128-139, (2023).

2022

Automated Rational Design of Metal-Organic Polyhedra

Aleksandar Kondinski, Angiras Menon, Daniel Nurkowski, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Journal of the American Chemical Society 144(26), 11713-11728, (2022).

Universal Digital Twin: Integration of national-scale energy systems and climate data

Tom Savage, Jethro Akroyd, Sebastian Mosbach, Nenad Krdzavac, Michael Hillman, and Markus Kraft, Data-Centric Engineering 3, 23, (2022).

Question answering system for chemistry - A semantic agent extension

Xiaochi Zhou, Daniel Nurkowski, Angiras Menon, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Digital Chemical Engineering 3, 100032, (2022).

Blockchain Technology in the Chemical Industry

Xiaochi Zhou and Markus Kraft, Annual Review of Chemical and Biomolecular Engineering 13, 347-371, (2022).

Universal Digital Twin: Land use

Jethro Akroyd, Zachary Harper, David N.L. Soutar, Feroz Farazi, Amit Bhave, Sebastian Mosbach, and Markus Kraft, Data-Centric Engineering 3, 3, (2022).

Semantic 3D City Agents - An intelligent automation for dynamic geospatial knowledge graphs

Arkadiusz Chadzynski, Shiying Li, Ayda Grišiūtė, Feroz Farazi, Casper Lindberg, Sebastian Mosbach, Pieter Herthogs, and Markus Kraft, Energy and AI 8, 100137, (2022).

From Platform to Knowledge Graph: Evolution of Laboratory Automation

Jiaru Bai, Liwei Cao, Sebastian Mosbach, Jethro Akroyd, Alexei A. Lapkin, and Markus Kraft, JACS Au 2(2), 292-309, (2022).

Embedding Energy Storage Systems into a Dynamic Knowledge Graph

Laura Ong, Gourab Karmakar, John Atherton, Xiaochi Zhou, Mei Qi Lim, Arkadiusz Chadzynski, Lanyu Li, Xiaonan Wang, and Markus Kraft, Industrial & Engineering Chemistry Research 61(24), 8390-8398, (2022).

Semantic City Planning Systems (SCPS): A Literature Review

Aurel von Richthofen, Pieter Herthogs, Markus Kraft, and Stephen Cairns, Journal of Planning Literature 37(3), 415-432, (2022).

Resource-optimised generation dispatch strategy for district heating systems using dynamic hierarchical optimisation

Markus Hofmeister, Sebastian Mosbach, Jörg Hammacher, Martin Blum, Gerd Röhrig, Christoph Dörr, Volker Flegel, Amit Bhave, and Markus Kraft, Applied Energy 305, 117877, (2022).

Universal Digital Twin – the impact of heat pumps on social inequality

Tom Savage, Jethro Akroyd, Sebastian Mosbach, Michael Hillman, Franziska Sielker, and Markus Kraft, Advances in Applied Energy 5, 100079, (2022).

ElChemo: A cross-domain interoperability between chemical and electrical systems in a plant

Aravind Devanand, Gourab Karmakar, Nenad Krdzavac, Feroz Farazi, Mei Qi Lim, Eddy Y.S. Foo, Iftekhar A. Karimi, and Markus Kraft, Computers & Chemical Engineering 156, 107556, (2022).

2021

Universal Digital Twin - A Dynamic Knowledge Graph

Jethro Akroyd, Sebastian Mosbach, Amit Bhave, and Markus Kraft, Data-Centric Engineering 2, 14, (2021).

Predicting Power Conversion Efficiency of Organic Photovoltaics: Models and Data Analysis

Andreas Eibeck, Daniel Nurkowski, Angiras Menon, Jiaru Bai, Jinkui Wu, Li Zhou, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, ACS Omega 6(37), 23764-23775, (2021).

Question Answering System for Chemistry

Xiaochi Zhou, Daniel Nurkowski, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Journal of Chemical Information and Modeling 61(8), 3868-3880, (2021).

Semantic 3D City Database - An enabler for a dynamic geospatial knowledge graph

Arkadiusz Chadzynski, Nenad Krdzavac, Feroz Farazi, Mei Qi Lim, Shiying Li, Ayda Grišiūtė, Pieter Herthogs, Aurel von Richthofen, Stephen Cairns, and Markus Kraft, Energy and AI 6, 100106, (2021).

How does a carbon tax affect Britain’s power generation composition?

John Atherton, Wanni Xie, Leonardus Kevin Aditya, Xiaochi Zhou, Gourab Karmakar, Jethro Akroyd, Sebastian Mosbach, Mei Qi Lim, and Markus Kraft, Applied Energy 298, 117117, (2021).

Automated Calibration of a Poly(oxymethylene) Dimethyl Ether Oxidation Mechanism Using Knowledge Graph Technology

Jiaru Bai, Rory M Geeson, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd, Eric J. Bringley, and Markus Kraft, Journal of Chemical Information and Modeling 61(4), 1701-1717, (2021).

Game theory-based renewable multi-energy system design and subsidy strategy optimization

Zuming Liu, Shukun Wang, Mei Qi Lim, Markus Kraft, and Xiaonan Wang, Advances in Applied Energy 2, 100024, (2021).

2020

Multiscale Cross-Domain Thermochemical Knowledge-Graph

Sebastian Mosbach, Angiras Menon, Feroz Farazi, Nenad Krdzavac, Xiaochi Zhou, Jethro Akroyd, and Markus Kraft, Journal of Chemical Information and Modeling 60(12), 6155-6166, (2020).

Deep-Learning Architecture in QSPR Modeling for the Prediction of Energy Conversion Efficiency of Solar Cells

Jinkui Wu, Shihui Wang, Li Zhou, Xu Ji, Yiyang Dai, Yagu Dang, and Markus Kraft, Industrial & Engineering Chemistry Research 59(42), 18991-19000, (2020).

Simultaneous design and operation optimization of renewable combined cooling heating and power systems

Zuming Liu, Mei Qi Lim, Markus Kraft, and Xiaonan Wang, AIChE Journal 66(12), 17039, (2020).

Knowledge Graph Approach to Combustion Chemistry and Interoperability

Feroz Farazi, Maurin Salamanca, Sebastian Mosbach, Jethro Akroyd, Andreas Eibeck, Leonardus Kevin Aditya, Arkadiusz Chadzynski, Kang Pan, Xiaochi Zhou, Shaocong Zhang, Mei Qi Lim, and Markus Kraft, ACS Omega 5(29), 18342-18348, (2020).

A Parallel World Framework for scenario analysis in knowledge graphs

Andreas Eibeck, Arkadiusz Chadzynski, Mei Qi Lim, Leonardus Kevin Aditya, Laura Ong, Aravind Devanand, Gourab Karmakar, Sebastian Mosbach, Raymond Lau, Iftekhar A. Karimi, Eddy Y.S. Foo, and Markus Kraft, Data-Centric Engineering 1, 6, (2020).

Deep kernel learning approach to engine emissions modeling

Changmin Yu, Marko Seslija, George Brownbridge, Sebastian Mosbach, Markus Kraft, Mohammad Parsi, Mark Davis, Vivian Page, and Amit Bhave, Data-Centric Engineering 1, 4, (2020).

OntoPowSys: A power system ontology for cross domain interactions in an eco industrial park

Aravind Devanand, Gourab Karmakar, Nenad Krdzavac, Rémy Rigo-Mariani, Eddy Y.S. Foo, Iftekhar A. Karimi, and Markus Kraft, Energy and AI 1, 100008, (2020).

A Smart Contract-based agent marketplace for the J-Park Simulator - a knowledge graph for the process industry

Xiaochi Zhou, Mei Qi Lim, and Markus Kraft, Computers & Chemical Engineering 139, 106896, (2020).

J‐Park Simulator: Knowledge Graph for Industry 4.0

Markus Kraft and Andreas Eibeck, Chemie Ingenieur Technik 92(7), 967-977, (2020).

Linking reaction mechanisms and quantum chemistry: An ontological approach

Feroz Farazi, Nenad Krdzavac, Jethro Akroyd, Sebastian Mosbach, Angiras Menon, Daniel Nurkowski, and Markus Kraft, Computers & Chemical Engineering 137, 106813, (2020).

The impact of intelligent cyber-physical systems on the decarbonization of energy

Oliver R. Inderwildi, Chuan Zhang, Xiaonan Wang, and Markus Kraft, Energy & Environmental Science 13(3), 744-771, (2020).

OntoKin: An Ontology for Chemical Kinetic Reaction Mechanisms

Feroz Farazi, Jethro Akroyd, Sebastian Mosbach, Philipp Buerger, Daniel Nurkowski, Maurin Salamanca, and Markus Kraft, Journal of Chemical Information and Modeling 60(1), 108-120, (2020).

A Combined Cycle Gas Turbine Model for Heat and Power Dispatch Subject to Grid Constraints

Rémy Rigo-Mariani, Chuan Zhang, Alessandro Romagnoli, Markus Kraft, K. V. Ling, and Jan M. Maciejowski, IEEE Transactions on Sustainable Energy 11(1), 448-456, (2020).

2019

J-Park Simulator: An ontology-based platform for cross-domain scenarios in process industry

Andreas Eibeck, Mei Qi Lim, and Markus Kraft, Computers & Chemical Engineering 131, 106586, (2019).

An agent composition framework for the J-Park Simulator - A knowledge graph for the process industry

Xiaochi Zhou, Andreas Eibeck, Mei Qi Lim, Nenad Krdzavac, and Markus Kraft, Computers & Chemical Engineering 130, 106577, (2019).

From database to knowledge graph - using data in chemistry

Angiras Menon, Nenad Krdzavac, and Markus Kraft, Current Opinion in Chemical Engineering 26, 33-37, (2019).

Research advances towards large-scale solar hydrogen production from water

Guanyu Liu, Yuan Sheng, Joel W. Ager, Markus Kraft, and Rong Xu, EnergyChem 1(2), 100014, (2019).

An Ontology and Semantic Web Service for Quantum Chemistry Calculations

Nenad Krdzavac, Sebastian Mosbach, Daniel Nurkowski, Philipp Buerger, Jethro Akroyd, Jacob W. Martin, Angiras Menon, and Markus Kraft, Journal of Chemical Information and Modeling 59(7), 3154-3165, (2019).

Enhanced Procurement and Production Strategies for Chemical Plants: Utilizing Real-Time Financial Data and Advanced Algorithms

Janusz Sikorski, Oliver R. Inderwildi, Mei Qi Lim, Sushant S. Garud, Johannes Neukäufer, and Markus Kraft, Industrial & Engineering Chemistry Research 58(8), 3072-3081, (2019).

Box-Behnken design based CO₂ co-gasification of horticultural waste and sewage sludge with addition of ash from waste as catalyst

Xiang Kan, Xiaoping Chen, Ye Shen, Alexei A. Lapkin, Markus Kraft, and Chi-Hwa Wang, Applied Energy 242, 1549-1561, (2019).

Optimal site selection for modular nuclear power plants

Aravind Devanand, Iftekhar A. Karimi, and Markus Kraft, Computers & Chemical Engineering 125, 339-350, (2019).

2018

Evaluating smart sampling for constructing multidimensional surrogate models

Sushant S. Garud, Iftekhar A. Karimi, George Brownbridge, and Markus Kraft, Computers & Chemical Engineering 108, 276-288, (2018).

Incorporating seller/buyer reputation-based system in blockchain-enabled emission trading application

Khamila Nurul Khaqqi, Janusz Sikorski, Kunn Hadinoto, and Markus Kraft, Applied Energy 209, 8-19, (2018).

LEAPS2: Learning based Evolutionary Assistive Paradigm for Surrogate Selection

Sushant S. Garud, Iftekhar A. Karimi, and Markus Kraft, Computers & Chemical Engineering 119, 352-370, (2018).

An ontology framework towards decentralized information management for eco-industrial parks

Li Zhou, Chuan Zhang, Iftekhar A. Karimi, and Markus Kraft, Computers & Chemical Engineering 118, 49-63, (2018).

2017

A big data framework to validate thermodynamic data for chemical species

Philipp Buerger, Jethro Akroyd, Jacob W. Martin, and Markus Kraft, Combustion and Flame 176, 584-591, (2017).

Outlier analysis for a silicon nanoparticle population balance model

Sebastian Mosbach, William J. Menz, and Markus Kraft, Combustion and Flame 177, 89-97, (2017).

Blockchain technology in the chemical industry: Machine-to-machine electricity market

Janusz Sikorski, Joy Haughton, and Markus Kraft, Applied Energy 195, 234-246, (2017).

Design of Computer Experiments: A Review

Sushant S. Garud, Iftekhar A. Karimi, and Markus Kraft, Computers & Chemical Engineering 106, 71-95, (2017).

J-Park Simulator: Roadmap to Smart Eco-Industrial Parks

Martin J. Kleinelanghorst, Li Zhou, Janusz Sikorski, Eddy FooYi Shyh, Leonardus Kevin Aditya, Sebastian Mosbach, Iftekhar A. Karimi, Raymond Lau, and Markus Kraft, Proceedings of the Second International Conference on Internet of Things, Data and Cloud Computing (ICC '17) 107, 1-10, (2017).

Towards an ontological infrastructure for chemical process simulation and optimization in the context of eco-industrial parks

Li Zhou, Ming Pan, Janusz Sikorski, Sushant S. Garud, Leonardus Kevin Aditya, Martin J. Kleinelanghorst, Iftekhar A. Karimi, and Markus Kraft, Applied Energy 204, 1284-1298, (2017).

Smart Sampling Algorithm for Surrogate Model Development

Sushant S. Garud, Iftekhar A. Karimi, and Markus Kraft, Computers & Chemical Engineering 96, 103-114, (2017).