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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

2,123

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6

Citations

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

1,040

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1

Citations

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

602

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1

Citations

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

1,115

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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

1,021

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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

657

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Materials Chemistry

Working Paper

Connecting lab experiments with computer experiments: Making "routine" simulations routine

Kevin Maik Jablonka, Michaël Zasso, Luc Patiny, Nicola Marzari, Giovanni Pizzi, Berend Smit, Aliaksandr V. Yakutovich

Version 2 posted 04 August 2021

983

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3

Citations

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

470

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Leveraging Large Language Models for Predictive Chemistry

Kevin Maik Jablonka, Philippe Schwaller, Andres Ortega-Guerrero, Berend Smit

Version 3 posted 17 October 2023

12,200

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3

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

548

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Refine Search

16 results in Kevin Maik Jablonka in Authors: Kevin Maik Jablonka

Using Collective Knowledge to Assign Oxidation States

Understanding the Diversity of the Metal-Organic Framework Ecosystem

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

Bias Free Multiobjective Active Learning for Materials Design and Discovery

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

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

Connecting lab experiments with computer experiments: Making "routine" simulations routine

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

Leveraging Large Language Models for Predictive Chemistry

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

16 results in Authors: Kevin Maik Jablonka