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Puck Van Gerwen

4PUBLICATIONS

8CO-AUTHORS

Process control and simulationChemical and thermal processes in energy and combustionMain group metal chemistry

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Publications (4)

Sort by Publication Date:

|Jul 15, 2024

3DReact: Geometric Deep Learning for Chemical Reactions.

Puck van Gerwen, Ksenia R Briling, Charlotte Bunne

|May 17, 2024

Benchmarking machine-readable vectors of chemical reactions on computed activation barriers.

Puck van Gerwen, Ksenia R Briling, Yannick Calvino Alonso

|Mar 08, 2024

A genetic optimization strategy with generality in asymmetric organocatalysis as a primary target.

Simone Gallarati, Puck van Gerwen, Ruben Laplaza

|Dec 04, 2023

Genetic Algorithms for the Discovery of Homogeneous Catalysts.

Simone Gallarati, Puck Van Gerwen, Alexandre A Schoepfer

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Frequent Collaborators

4 joint publications

Clemence Corminboeuf

3 joint publications

Ruben Laplaza

2 joint publications

Simone Gallarati

2 joint publications

Ksenia R Briling

1 joint publications

Lucien Brey

1 joint publications

Yannick Calvino Alonso

1 joint publications

Charlotte Bunne

1 joint publications

Vignesh Ram Somnath

Frequent Collaborators

4 joint publications

Clemence Corminboeuf

3 joint publications

Ruben Laplaza

2 joint publications

Simone Gallarati

2 joint publications

Ksenia R Briling

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