Ganna Gryn'ova

21PUBLICATIONS
44CO-AUTHORS
Chemical engineering designCatalysis and mechanisms of reactionsMetal organic frameworksCheminformatics and quantitative structure-activity relationshipsTheoretical quantum chemistry
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Publications (21)

|Jun 22, 2026
Structural Modulation of TpPa‑1 Covalent Organic Framework in Flow Synthesis Guided by Green Chemistry Principles.

|Jan 12, 2026
Multi-Solvent Graph Neural Network for Reduction Potential Prediction Across the Chemical Space.

Rostislav Fedorov, Anastasiia Nihei, Ganna Gryn'ova

|Dec 10, 2025
Fragment to framework: automatic fragmentation of covalent organic frameworks into building blocks for band gap analysis.

Michelle Ernst, Rostislav Fedorov, Alessandro Calzolari

|Aug 12, 2024
EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning.

Ganna Gryn'ova, Tristan Bereau, Carolin Müller

|Feb 16, 2024
Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins.

Kai Riedmiller, Patrick Reiser, Elizaveta Bobkova

|Jan 19, 2024
Accelerated chemical science with AI.

Seoin Back, Alán Aspuru-Guzik, Michele Ceriotti

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Frequent Collaborators

4 joint publications

Clémence Corminboeuf

2 joint publications

Jérôme Waser

2 joint publications

Michelle L Coote

2 joint publications

Catherine Mollart