Kevin M. Van Geem

According to our database, Kevin M. Van Geem authored at least 8 papers between 2007 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2025

Accelerating reaction rate predictions: a machine learning approach using a novel quantum chemical property for nucleophilic aromatic substitutions.

Lowie Tomme, István Lengyel, Florence H. Vermeire, Christian V. Stevens, Kevin M. Van Geem

Mach. Learn. Sci. Technol., 2025

2024

Geometric deep learning for molecular property predictions with chemical accuracy across chemical space.

Maarten R. Dobbelaere, István Lengyel, Christian V. Stevens, Kevin M. Van Geem

J. Cheminformatics, December, 2024

Rxn-INSIGHT: fast chemical reaction analysis using bond-electron matrices.

Maarten R. Dobbelaere, István Lengyel, Christian V. Stevens, Kevin M. Van Geem

J. Cheminformatics, December, 2024

2018

Automated reaction database and reaction network analysis: extraction of reaction templates using cheminformatics.

Pieter P. Plehiers, Guy B. Marin, Christian V. Stevens, Kevin M. Van Geem

J. Cheminformatics, 2018

2015

Symmetry calculation for molecules and transition states.

Nick M. Vandewiele, Ruben Van de Vijver, Kevin M. Van Geem, Marie Françoise Reyniers, Guy B. Marin

J. Comput. Chem., 2015

2014

GPU based simulation of reactive mixtures with detailed chemistry in combination with tabulation and an analytical Jacobian.

Thomas Dijkmans, Carl M. Schietekat, Kevin M. Van Geem, Guy B. Marin

Comput. Chem. Eng., 2014

2012

Coupled simulation of an industrial naphtha cracking furnace equipped with long-flame and radiation burners.

Guihua Hu, Honggang Wang, Feng Qian, Kevin M. Van Geem, Carl M. Schietekat, Guy B. Marin

Comput. Chem. Eng., 2012

2007

Molecular reconstruction of naphtha steam cracking feedstocks based on commercial indices.

Kevin M. Van Geem, Damien Hudebine, Marie Françoise Reyniers, François Wahl, Jan J. Verstraete, Guy B. Marin

Comput. Chem. Eng., 2007