Michel Waroquier

According to our database, Michel Waroquier authored at least 7 papers between 2008 and 2018.

Collaborative distances:

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

2018

Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks.

Louis Vanduyfhuys, Steven Vandenbrande, Jelle Wieme, Michel Waroquier, Toon Verstraelen, Veronique Van Speybroeck

J. Comput. Chem., 2018

2015

QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks from <i>ab initio</i> input.

Louis Vanduyfhuys, Steven Vandenbrande, Toon Verstraelen, Rochus Schmid, Michel Waroquier, Veronique Van Speybroeck

J. Comput. Chem., 2015

2011

Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the hirshfeld-I partitioning of the electron density.

Diederik Vanfleteren, Dieter Ghillemijn, Dimitri Van Neck, Patrick Bultinck, Michel Waroquier, Paul W. Ayers

J. Comput. Chem., 2011

2010

TAMkin: A Versatile Package for Vibrational Analysis and Chemical Kinetics.

An Ghysels, Toon Verstraelen, Karen Hemelsoet, Michel Waroquier, Veronique Van Speybroeck

J. Chem. Inf. Model., 2010

Comparative study of various normal mode analysis techniques based on partial Hessians.

An Ghysels, Veronique Van Speybroeck, Ewald Pauwels, Saron Catak, Bernard R. Brooks, Dimitri Van Neck, Michel Waroquier

J. Comput. Chem., 2010

2008

ZEOBUILDER: A GUI Toolkit for the Construction of Complex Molecular Structures on the Nanoscale with Building Blocks.

Toon Verstraelen, Veronique Van Speybroeck, Michel Waroquier

J. Chem. Inf. Model., 2008

MD-TRACKS: A Productive Solution for the Advanced Analysis of Molecular Dynamics and Monte Carlo simulations.

Toon Verstraelen, Marc Van Houteghem, Veronique Van Speybroeck, Michel Waroquier

J. Chem. Inf. Model., 2008