Alan E Mark

23PUBLICATIONS
47CO-AUTHORS
Computational chemistryPolymerisation mechanismsFormal methods for softwareMolecular and organic electronicsReaction kinetics and dynamics
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Publications (23)

|May 07, 2024
On the Validation of Protein Force Fields Based on Structural Criteria.

Martin Stroet, Martina Setz, Thomas Lee

|Jan 18, 2024
Molecular Insights into the Dynamics of Amyloid Fibril Growth: Elongation and Lateral Assembly of GNNQQNY Protofibrils.

Torsten John, Aldo Rampioni, David Poger

|Jun 22, 2023
Engineering Transferable Atomic Force Fields: Empirical Optimization of Hydrocarbon Lennard-Jones Interactions by Direct Mapping of Parameter Space.

Zihan Zhou, Alan E Mark, Martin Stroet

|Jun 13, 2023
OFraMP: a fragment-based tool to facilitate the parametrization of large molecules.

Martin Stroet, Bertrand Caron, Martin S Engler

|Dec 21, 2022
PyThinFilm: Automated Molecular Dynamics Simulation Protocols for the Generation of Thin Film Morphologies.

Martin Stroet, Stephen Sanderson, Audrey V Sanzogni

|Jun 08, 2022
Understanding the performance differences between solution and vacuum deposited OLEDs: A computational approach.

Stephen Sanderson, George Vamvounis, Alan E Mark

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Frequent Collaborators

7 joint publications

Martin Stroet

6 joint publications

Alpeshkumar K Malde

6 joint publications

Paul L Burn

4 joint publications

David Poger