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Hi there 👋

I'm a research group leader in Germany (FSU Jena, Helmholtz Center for Polymers in Energy Applications) looking into how data can be used to expedite materials design and discovery. I've been developing tools for MOFs, but also generally applicable ML systems. For this, I'm also looking into ways to improve data capture and dissemination in experimental chemistry. For example, I've been collecting interesting datasets that we are now using to train a chemistry LLM, in the ChemNLP project, that I co-lead.

Kevin M Jablonka's Projects

3dasm_course icon 3dasm_course

Data-Driven Design & Analysis of Structures & Materials (3dasm)

achemso icon achemso

LaTeX class for submissions to the American Chemical Society (ACS), and BibTeX styles for all ACS journals

aep icon aep

AiiDA enhancement proposals

aiida-cp2k icon aiida-cp2k

The CP2K plugin for the AiiDA workflow and provenance engine.

aiida-gudhi icon aiida-gudhi

AiiDA plugin for the GUDHI library for topological data analysis.

aiida-lsmo icon aiida-lsmo

AiiDA workflows for the LSMO laboratory at EPFL

aiida-phtools icon aiida-phtools

AiiDA plugin for persistence homology tools, used to analyze nanoporous materials.

aiida-qeq icon aiida-qeq

AiiDA plugin for computing electronic charges on atoms using equilibration-type models (QEq, EQEq, ...).

aiida-raspa icon aiida-raspa

The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net

amp_fork icon amp_fork

My amp (https://bitbucket.org/andrewpeterson/amp) fork

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