Puck van Gerwen

According to our database, Puck van Gerwen authored at least 8 papers between 2020 and 2025.

Collaborative distances:

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

2025

Integer linear programming for unsupervised training set selection in molecular machine learning.

Matthieu Haeberle, Puck van Gerwen, Rubén Laplaza, Ksenia R. Briling, Jan Weinreich, Friedrich Eisenbrand, Clémence Corminboeuf

Mach. Learn. Sci. Technol., 2025

2024

3DReact: Geometric Deep Learning for Chemical Reactions.

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

J. Chem. Inf. Model., 2024

Could ChatGPT get an Engineering Degree? Evaluating Higher Education Vulnerability to AI Assistants.

Beatriz Borges, Negar Foroutan, Deniz Bayazit, Anna Sotnikova, Syrielle Montariol, Tanya Nazaretzky, Mohammadreza Banaei, Alireza Sakhaeirad, Philippe Servant, Seyed Parsa Neshaei, Jibril Frej, Angelika Romanou, Gail Weiss, Sepideh Mamooler, Zeming Chen, Simin Fan, Silin Gao, Mete Ismayilzada, Debjit Paul, Alexandre Schöpfer, Andrej Janchevski, Anja Tiede, Clarence Linden, Emanuele Troiani, Francesco Salvi, Freya Behrens, Giacomo Orsi, Giovanni Piccioli, Hadrien Sevel, Louis Coulon, Manuela Pineros-Rodriguez, Marin Bonnassies, Pierre Hellich, Puck van Gerwen, Sankalp Gambhir, Solal Pirelli, Thomas Blanchard, Timothée Callens, Toni Abi Aoun, Yannick Calvino Alonso, Yuri Cho, Alberto Silvio Chiappa, Antonio Sclocchi, Étienne Bruno, Florian Hofhammer, Gabriel Pescia, Geovani Rizk, Leello Dadi, Lucas Stoffl, Manoel Horta Ribeiro, Matthieu Bovel, Yueyang Pan, Aleksandra Radenovic, Alexandre Alahi, Alexander Mathis, Anne-Florence Bitbol, Boi Faltings, Cécile Hébert, Devis Tuia, François Maréchal, George Candea, Giuseppe Carleo, Jean-Cédric Chappelier, Nicolas Flammarion, Jean-Marie Fürbringer, Jean-Philippe Pellet, Karl Aberer, Lenka Zdeborová, Marcel Salathé, Martin Jaggi, Martin Rajman, Mathias Payer, Matthieu Wyart, Michael Gastpar, Michele Ceriotti, Ola Svensson, Olivier Lévêque, Paolo Ienne, Rachid Guerraoui, Robert West, Sanidhya Kashyap, Valerio Piazza, Viesturs Simanis, Viktor Kuncak, Volkan Cevher, Philippe Schwaller, Sacha Friedli, Patrick Jermann, Tanja Käser, Antoine Bosselut

CoRR, 2024

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