Kevin Maik Jablonka

Affiliations

Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, École, Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, Sion, CH-1951, Valais, Switzerland.

ORCID: http://orcid.org/0000-0003-4894-4660

Publications (17)

Understanding the diversity of the metal-organic framework ecosystem.

Nature communications

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

Characterization of Chemisorbed Species and Active Adsorption Sites in Mg-Al Mixed Metal Oxides for High-Temperature CO

Chemistry of materials : a publication of the American Chemical Society

Avec: Alicia Lund , G V Manohara , Ah-Young Song , Kevin Maik Jablonka , Christopher P Ireland , Li Anne Cheah , Berend Smit , Susana Garcia , Jeffrey A Reimer

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

Science advances

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

14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon.

Digital discovery

Avec: Kevin Maik Jablonka , Qianxiang Ai , Alexander Al-Feghali , Shruti Badhwar , Joshua D Bocarsly , Andres M Bran , Stefan Bringuier , L Catherine Brinson , Kamal Choudhary , Defne Circi , Sam Cox , Wibe A de Jong , Matthew L Evans , Nicolas Gastellu , Jerome Genzling , María Victoria Gil , Ankur K Gupta , Zhi Hong , Alishba Imran , Sabine Kruschwitz , Anne Labarre , Jakub Lála , Tao Liu , Steven Ma , Sauradeep Majumdar , Garrett W Merz , Nicolas Moitessier , Elias Moubarak , Beatriz Mouriño , Brenden Pelkie , Michael Pieler , Mayk Caldas Ramos , Bojana Ranković , Samuel G Rodriques , Jacob N Sanders , Philippe Schwaller , Marcus Schwarting , Jiale Shi , Berend Smit , Ben E Smith , Joren Van Herck , Christoph Völker , Logan Ward , Sean Warren , Benjamin Weiser , Sylvester Zhang , Xiaoqi Zhang , Ghezal Ahmad Zia , Aristana Scourtas , K J Schmidt , Ian Foster , Andrew D White , Ben Blaiszik

A data-driven perspective on the colours of metal-organic frameworks.

Chemical science

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

Using collective knowledge to assign oxidation states of metal cations in metal-organic frameworks.

Nature chemistry

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

Deep learning-based recommendation system for metal-organic frameworks (MOFs).

Digital discovery

Avec: Xiaoqi Zhang , Kevin Maik Jablonka , Berend Smit

Big-Data Science in Porous Materials: Materials Genomics and Machine Learning.

Chemical reviews

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

Applicability of Tail Corrections in the Molecular Simulations of Porous Materials.

Journal of chemical theory and computation

Avec: Kevin Maik Jablonka , Daniele Ongari , Berend Smit

Bias free multiobjective active learning for materials design and discovery.

Nature communications

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

The Role of Machine Learning in the Understanding and Design of Materials.

Journal of the American Chemical Society

Avec: Seyed Mohamad Moosavi , Kevin Maik Jablonka , Berend Smit

Diversifying Databases of Metal Organic Frameworks for High-Throughput Computational Screening.

ACS applied materials & interfaces

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

Using genetic algorithms to systematically improve the synthesis conditions of Al-PMOF.

Communications chemistry

Avec: Nency P Domingues , Seyed Mohamad Moosavi , Leopold Talirz , Kevin Maik Jablonka , Christopher P Ireland , Fatmah Mish Ebrahim , Berend Smit

An Ecosystem for Digital Reticular Chemistry.

ACS central science

Avec: Kevin Maik Jablonka , Andrew S Rosen , Aditi S Krishnapriyan , Berend Smit

A holistic platform for accelerating sorbent-based carbon capture.

Nature

Avec: Charithea Charalambous , Elias Moubarak , Johannes Schilling , Eva Sanchez Fernandez , Jin-Yu Wang , Laura Herraiz , Fergus Mcilwaine , Shing Bo Peh , Matthew Garvin , Kevin Maik Jablonka , Seyed Mohamad Moosavi , Joren Van Herck , Aysu Yurdusen Ozturk , Alireza Pourghaderi , Ah-Young Song , Georges Mouchaham , Christian Serre , Jeffrey A Reimer , André Bardow , Berend Smit , Susana Garcia

Making the collective knowledge of chemistry open and machine actionable.

Nature chemistry

Avec: Kevin Maik Jablonka , Luc Patiny , Berend Smit

SELFIES and the future of molecular string representations.

Patterns (New York, N.Y.)

Avec: Mario Krenn , Qianxiang Ai , Senja Barthel , Nessa Carson , Angelo Frei , Nathan C Frey , Pascal Friederich , Théophile Gaudin , Alberto Alexander Gayle , Kevin Maik Jablonka , Rafael F Lameiro , Dominik Lemm , Alston Lo , Seyed Mohamad Moosavi , José Manuel Nápoles-Duarte , AkshatKumar Nigam , Robert Pollice , Kohulan Rajan , Ulrich Schatzschneider , Philippe Schwaller , Marta Skreta , Berend Smit , Felix Strieth-Kalthoff , Chong Sun , Gary Tom , Guido Falk von Rudorff , Andrew Wang , Andrew D White , Adamo Young , Rose Yu , Alán Aspuru-Guzik

Réseau de co-auteurs

Berend Smit 17 collaborations

Seyed Mohamad Moosavi 9 collaborations

Daniele Ongari 5 collaborations

Susana Garcia 3 collaborations

Ah-Young Song 2 collaborations

Christopher P Ireland 2 collaborations

Jeffrey A Reimer 2 collaborations

Charithea Charalambous 2 collaborations

Eva Sanchez Fernandez 2 collaborations

Qianxiang Ai 2 collaborations

Sauradeep Majumdar 2 collaborations

Elias Moubarak 2 collaborations

Philippe Schwaller 2 collaborations

Joren Van Herck 2 collaborations

Xiaoqi Zhang 2 collaborations

Andrew D White 2 collaborations

Luc Patiny 2 collaborations

Aditya Nandy 1 collaboration

Jon Paul Janet 1 collaboration

Peter G Boyd 1 collaboration

Yongjin Lee 1 collaboration

Heather J Kulik 1 collaboration

Alicia Lund 1 collaboration

G V Manohara 1 collaboration

Li Anne Cheah 1 collaboration

Georg Wiechers 1 collaboration

Juliana Monteiro 1 collaboration

Peter Moser 1 collaboration

Alexander Al-Feghali 1 collaboration

Shruti Badhwar 1 collaboration

Joshua D Bocarsly 1 collaboration

Andres M Bran 1 collaboration

Stefan Bringuier 1 collaboration

L Catherine Brinson 1 collaboration

Kamal Choudhary 1 collaboration

Defne Circi 1 collaboration

Sam Cox 1 collaboration

Wibe A de Jong 1 collaboration

Matthew L Evans 1 collaboration

Nicolas Gastellu 1 collaboration

Jerome Genzling 1 collaboration

María Victoria Gil 1 collaboration

Ankur K Gupta 1 collaboration

Zhi Hong 1 collaboration

Alishba Imran 1 collaboration

Sabine Kruschwitz 1 collaboration

Anne Labarre 1 collaboration

Jakub Lála 1 collaboration

Tao Liu 1 collaboration

Steven Ma 1 collaboration

Garrett W Merz 1 collaboration

Nicolas Moitessier 1 collaboration

Beatriz Mouriño 1 collaboration

Brenden Pelkie 1 collaboration

Michael Pieler 1 collaboration

Mayk Caldas Ramos 1 collaboration

Bojana Ranković 1 collaboration

Samuel G Rodriques 1 collaboration

Jacob N Sanders 1 collaboration

Marcus Schwarting 1 collaboration

Jiale Shi 1 collaboration

Ben E Smith 1 collaboration

Christoph Völker 1 collaboration

Logan Ward 1 collaboration

Sean Warren 1 collaboration

Benjamin Weiser 1 collaboration

Sylvester Zhang 1 collaboration

Ghezal Ahmad Zia 1 collaboration

Aristana Scourtas 1 collaboration

K J Schmidt 1 collaboration

Ian Foster 1 collaboration

Ben Blaiszik 1 collaboration

Mehrdad Asgari 1 collaboration

Christopher Ireland 1 collaboration

Giriprasad Melpatti Jothiappan 1 collaboration

Shefang Wang 1 collaboration

Brian Yoo 1 collaboration

Nency P Domingues 1 collaboration

Leopold Talirz 1 collaboration

Fatmah Mish Ebrahim 1 collaboration

Andrew S Rosen 1 collaboration

Aditi S Krishnapriyan 1 collaboration

Johannes Schilling 1 collaboration

Jin-Yu Wang 1 collaboration

Laura Herraiz 1 collaboration

Fergus Mcilwaine 1 collaboration

Shing Bo Peh 1 collaboration

Matthew Garvin 1 collaboration

Aysu Yurdusen Ozturk 1 collaboration

Alireza Pourghaderi 1 collaboration

Georges Mouchaham 1 collaboration

Christian Serre 1 collaboration

André Bardow 1 collaboration

Mario Krenn 1 collaboration

Senja Barthel 1 collaboration

Nessa Carson 1 collaboration

Angelo Frei 1 collaboration

Nathan C Frey 1 collaboration

Pascal Friederich 1 collaboration

Théophile Gaudin 1 collaboration

Alberto Alexander Gayle 1 collaboration

Rafael F Lameiro 1 collaboration

Dominik Lemm 1 collaboration

Alston Lo 1 collaboration

José Manuel Nápoles-Duarte 1 collaboration

AkshatKumar Nigam 1 collaboration

Robert Pollice 1 collaboration

Kohulan Rajan 1 collaboration

Ulrich Schatzschneider 1 collaboration

Marta Skreta 1 collaboration

Felix Strieth-Kalthoff 1 collaboration

Chong Sun 1 collaboration

Gary Tom 1 collaboration

Guido Falk von Rudorff 1 collaboration

Andrew Wang 1 collaboration

Adamo Young 1 collaboration

Rose Yu 1 collaboration

Alán Aspuru-Guzik 1 collaboration