Michelle Ernst

7PUBLICATIONS
16CO-AUTHORS
Reaction kinetics and dynamicsMetal organic frameworksMain group metal chemistryOrganic semiconductorsTheory and design of materials
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

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

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

Michelle Ernst, Ganna Gryn'ova

|Sep 02, 2020
Embedding-theory-based simulations using experimental electron densities for the environment.

Niccolò Ricardi, Michelle Ernst, Piero Macchi

Pageof 2

Frequent Collaborators

2 joint publications

Ganna Gryn'ova

1 joint publications

Tomasz Poręba

1 joint publications

Piero Macchi

1 joint publications

Stefano Battaglia