Active learning-based exploration of the catalytic pyrolysis of plastic waste

Highly selective conversion of mixed polyolefins to valuable base chemicals using phosphorus-modified and steam-treated mesoporous HZSM-5 zeolite with minimal carbon footprint

(2022) Andreas Eschenbacher et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Transfer learning for solvation free energies: From quantum chemistry to experiments

(2021) Florence H. Vermeire et al.   CHEMICAL ENGINEERING JOURNAL

The chemistry of chemical recycling of solid plastic waste via pyrolysis and gasification: State-of-the-art, challenges, and future directions

(2021) Onur Dogu et al.   PROGRESS IN ENERGY AND COMBUSTION SCIENCE

Bias free multiobjective active learning for materials design and discovery

(2021) Kevin Maik Jablonka et al.   Nature Communications

Machine Learning in Chemical Engineering: Strengths, Weaknesses, Opportunities, and Threats

(2021) Maarten R. Dobbelaere et al.   Engineering

Hydrocracking of complex mixtures: From bulk properties, over fundamental kinetics to detailed product composition

(2021) César G. Pernalete et al.   CATALYSIS TODAY

Maximizing light olefins and aromatics as high value base chemicals via single step catalytic conversion of plastic waste

(2021) Andreas Eschenbacher et al.   CHEMICAL ENGINEERING JOURNAL

Application of computational approach in plastic pyrolysis kinetic modelling: a review

(2021) Sabino Armenise et al.   Reaction Kinetics Mechanisms and Catalysis

On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events

(2020) Jonathan Vandermause et al.   npj Computational Materials

Active Learning Query Strategies for Classification, Regression, and Clustering: A Survey

(2020) Punit Kumar et al.   JOURNAL OF COMPUTER SCIENCE AND TECHNOLOGY

Fast and Accurate Uncertainty Estimation in Chemical Machine Learning

(2019) Félix Musil et al.   Journal of Chemical Theory and Computation

ZSM-5 Zeolite Based Additive in FCC Process: A Review on Modifications for Improving Propylene Production

(2019) Mohammed F. Alotibi et al.   CATALYSIS SURVEYS FROM ASIA

QUANTIS: Data quality assessment tool by clustering analysis

(2019) Steffen H. Symoens et al.   INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Automated self-optimisation of multi-step reaction and separation processes using machine learning

(2019) Adam D. Clayton et al.   CHEMICAL ENGINEERING JOURNAL

Catalytic deoxygenation of vapors obtained from ablative fast pyrolysis of wheat straw using mesoporous HZSM-5

(2019) Andreas Eschenbacher et al.   FUEL PROCESSING TECHNOLOGY

Machine learning meets continuous flow chemistry: Automated optimization towards the Pareto front of multiple objectives

(2018) Artur M. Schweidtmann et al.   CHEMICAL ENGINEERING JOURNAL

SchNet – A deep learning architecture for molecules and materials

(2018) K. T. Schütt et al.   JOURNAL OF CHEMICAL PHYSICS

Less is more: Sampling chemical space with active learning

(2018) Justin S. Smith et al.   JOURNAL OF CHEMICAL PHYSICS

Publisher Correction: Structure–performance descriptors and the role of Lewis acidity in the methanol-to-propylene process

(2018) Irina Yarulina et al.   Nature Chemistry

Pool-Based Sequential Active Learning for Regression

(2018) Dongrui Wu   IEEE Transactions on Neural Networks and Learning Systems

Phoenics: A Bayesian Optimizer for Chemistry

(2018) Florian Häse et al.   ACS Central Science

Active learning for computational chemogenomics

(2017) Daniel Reker et al.   Future Medicinal Chemistry

Mechanical and chemical recycling of solid plastic waste

(2017) Kim Ragaert et al.   WASTE MANAGEMENT

Machine learning unifies the modeling of materials and molecules

(2017) Albert P. Bartók et al.   Science Advances

Active-learning strategies in computer-assisted drug discovery

(2015) Daniel Reker et al.   DRUG DISCOVERY TODAY

Thermal/catalytic cracking of hydrocarbons for the production of olefins: A state-of-the-art review I: Thermal cracking review

(2015) S.M. Sadrameli   FUEL

Formic acid decomposition on Au catalysts: DFT, microkinetic modeling, and reaction kinetics experiments

(2014) Suyash Singh et al.   AICHE JOURNAL

Comparative study of naphtha cracking over SAPO-34 and HZSM-5: Effects of cerium and zirconium on the catalytic performance

(2014) Ali Zeinali Varzaneh et al.   JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Hydrothermal synthesis of nanosized SAPO-34 molecular sieves by different combinations of multi templates

(2014) Nasim Najafi et al.   POWDER TECHNOLOGY

Single-Event MicroKinetics: Catalyst design for complex reaction networks

(2013) J.W. Thybaut et al.   JOURNAL OF CATALYSIS

Light olefins from HDPE cracking in a two-step thermal and catalytic process

(2012) M. Artetxe et al.   CHEMICAL ENGINEERING JOURNAL

Production of Light Olefins from Polyethylene in a Two-Step Process: Pyrolysis in a Conical Spouted Bed and Downstream High-Temperature Thermal Cracking

(2012) Maite Artetxe et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Selective formation of light olefin by n-heptane cracking over HZSM-5 at high temperatures

(2011) Kohei Kubo et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Pyrolysis of polyolefins for increasing the yield of monomers’ recovery

(2011) Pawel J. Donaj et al.   WASTE MANAGEMENT

Hydrocarbon fuels produced by catalytic pyrolysis of hospital plastic wastes in a fluidizing cracking process

(2010) Hung-Ta Lin et al.   FUEL PROCESSING TECHNOLOGY

The enigmatic mechanism of the flame ionization detector: Its overlooked implications for fossil fuel combustion modeling

(2008) Keith Schofield   PROGRESS IN ENERGY AND COMBUSTION SCIENCE

Model-based design of experiments for parameter precision: State of the art

(2007) Gaia Franceschini et al.   CHEMICAL ENGINEERING SCIENCE