Clémence Corminboeuf

According to our database, Clémence Corminboeuf authored at least 11 papers between 2011 and 2024.

Collaborative distances:

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

2024

From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials.

Frédéric Célerse, Matthew D. Wodrich, Sergi Vela, Simone Gallarati, Raimon Fabregat, Veronika Jurásková, Clémence Corminboeuf

J. Chem. Inf. Model., February, 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

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

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

2016

Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry.

Riccardo Petraglia, Adrien Nicolaï, Matthew D. Wodrich, Michele Ceriotti, Clémence Corminboeuf

J. Comput. Chem., 2016

2013

Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL.

Laetitia Bomble, Stephan N. Steinmann, Nancy Perez-Peralta, Gabriel Merino, Clémence Corminboeuf

J. Comput. Chem., 2013

2012

Identifying clusters as low-lying mimina - efficiency of stochastic and genetic algorithms using inexpensive electronic structure levels.

Fabrice Avaltroni, Clémence Corminboeuf

J. Comput. Chem., 2012

2011

Efficiency of random search procedures along the silicon cluster series: Si<i>_n</i> (<i>n</i> = 5-10, 15, and 20).

Fabrice Avaltroni, Clémence Corminboeuf

J. Comput. Chem., 2011