Michelle Ernst

7PUBLICATIONS
16CO-AUTHORS
Reaction kinetics and dynamicsMetal organic frameworksMain group metal chemistryOrganic semiconductorsTheory and design of materials
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Publications (7)

|Jun 01, 2026
Free-Energy Profiles of Confined Reactions: Influence of Confinement Type and Challenges for Metadynamics Methods.

|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

|Oct 15, 2025
Desorption of fragments upon electron impact on adsorbates: implications for electron beam induced deposition.

Chinmai Sai Jureddy, Jakub Jurczyk, Krzysztof Mackosz

|Jul 15, 2025
Extensive Band Gap Tunability in Covalent Organic Frameworks via Metal Intercalation and High Pressure.

Michelle Ernst, Jürg Hutter, Stefano Battaglia

|Sep 09, 2022
Pitfalls in the location of guest molecules in metal-organic frameworks.

Tomasz Poręba, Piero Macchi, Michelle Ernst

|Feb 14, 2022
Strength and Nature of Host-Guest Interactions in Metal-Organic Frameworks from a Quantum-Chemical Perspective.

Michelle Ernst, Ganna Gryn'ova

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Frequent Collaborators

2 joint publications

Ganna Gryn'ova

1 joint publications

Tomasz Poręba

1 joint publications

Piero Macchi

1 joint publications

Stefano Battaglia