Puck van Gerwen

According to our database, Puck van Gerwen authored at least 5 papers between 2020 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2023

Reply to Comment on 'Physics-based representations for machine learning properties of chemical reactions'.

Puck van Gerwen, Matthew D. Wodrich, Rubén Laplaza, Clémence Corminboeuf

Mach. Learn. Sci. Technol., December, 2023

EquiReact: An equivariant neural network for chemical reactions.

Puck van Gerwen, Ksenia R. Briling, Charlotte Bunne, Vignesh Ram Somnath, Rubén Laplaza, Andreas Krause, Clémence Corminboeuf

CoRR, 2023

2022

Physics-based representations for machine learning properties of chemical reactions.

Puck van Gerwen, Alberto Fabrizio, Matthew D. Wodrich, Clémence Corminboeuf

Mach. Learn. Sci. Technol., December, 2022

Metric learning for kernel ridge regression: assessment of molecular similarity.

Raimon Fabregat, Puck van Gerwen, Matthieu Haeberle, Friedrich Eisenbrand, Clémence Corminboeuf

Mach. Learn. Sci. Technol., September, 2022

2020

CarrierCapture.jl: Anharmonic Carrier Capture.

Sunghyun Kim, Samantha Hood, Puck van Gerwen, Lucy D. Whalley, Aron Walsh

J. Open Source Softw., 2020