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Theoretical and Computational Chemistry

Working Paper

Bias Free Multiobjective Active Learning for Materials Design and Discovery

Kevin Maik Jablonka, Giriprasad Melpatti Jothiappan, Shefang Wang, Berend Smit, Brian Yoo

Version 1 posted 09 November 2020

1,069

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Theoretical and Computational Chemistry

Working Paper

A Data-Driven Perspective on the Colours of Metal-Organic Frameworks

Kevin Maik Jablonka, Seyed Mohamad Moosavi, Mehrdad Asgari, Christopher Ireland, Luc Patiny, Berend Smit

Version 1 posted 01 October 2020

581

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1

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Inorganic Chemistry

Working Paper

Understanding the Diversity of the Metal-Organic Framework Ecosystem

Seyed Mohamad Moosavi, Aditya Nandy, Kevin Maik Jablonka, Daniele Ongari, Jon Paul Janet, Peter G. Boyd, Yongjin Lee, Berend Smit, Heather Kulik

Version 1 posted 07 May 2020

971

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1

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Theoretical and Computational Chemistry

Working Paper

Deep learning for industrial processes: Forecasting amine emissions from a carbon capture plant

Kevin Maik Jablonka, Charithea Charalambous, Eva Sanchez Fernandez, Georg Wiechers, Peter Moser, Juliana Monteiro, Berend Smit, Susana Garcia

Version 1 posted 31 August 2021

604

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Chemical Engineering and Industrial Chemistry

Working Paper

Biomass to energy: A machine learning model for optimum gasification pathways

María Victoria Gil, Kevin Maik Jablonka, Susana García, Covadonga Pevida, Berend Smit

Version 1 posted 10 May 2023

394

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1

Citations

Theoretical and Computational Chemistry

Working Paper

In search of Covalent Organic Framework photocatalysts: A DFT-based screening approach

Beatriz Mouriño, Kevin Maik Jablonka, Andres Ortega-Guerrero, Berend Smit

Version 2 posted 06 February 2023

480

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Theoretical and Computational Chemistry

Working Paper

Using Collective Knowledge to Assign Oxidation States

Kevin Maik Jablonka, Daniele Ongari, Seyed Mohamad Moosavi, Berend Smit

Version 1 posted 17 January 2020

1,347

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6

Citations

Materials Chemistry

Working Paper

An ecosystem for digital reticular chemistry

Kevin Maik Jablonka, Andrew S. Rosen, Aditi S. Krishnapriyan, Berend Smit

Version 1 posted 01 September 2022

748

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Diversifying databases of metal organic frameworks for high-throughput computational screening

Sauradeep Majumdar, Seyed Mohamad Moosavi, Kevin Maik Jablonka, Daniele Ongari, Berend Smit

Version 1 posted 28 September 2021

275

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Chemical Education

Working Paper

Making molecules vibrate: Interactive web environment for the teaching of infrared spectroscopy

Kevin Maik Jablonka, Luc Patiny, Berend Smit

Version 1 posted 12 October 2021

981

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Refine Search

14 results in Kevin Maik Jablonka in Authors: Kevin Maik Jablonka

Bias Free Multiobjective Active Learning for Materials Design and Discovery

A Data-Driven Perspective on the Colours of Metal-Organic Frameworks

Understanding the Diversity of the Metal-Organic Framework Ecosystem

Deep learning for industrial processes: Forecasting amine emissions from a carbon capture plant

Biomass to energy: A machine learning model for optimum gasification pathways

In search of Covalent Organic Framework photocatalysts: A DFT-based screening approach

Using Collective Knowledge to Assign Oxidation States

An ecosystem for digital reticular chemistry

Diversifying databases of metal organic frameworks for high-throughput computational screening

Making molecules vibrate: Interactive web environment for the teaching of infrared spectroscopy

14 results in Authors: Kevin Maik Jablonka