Computer programs:
* TopChem2
Publications
See full list on
Publons : G-4858-2012
Google scholar : Link
h-index (source google scholar) 24
Book Chapters
Quantum
Chemical Topology in the Field of Quasirelativistic Quantum
Calculations.
M. Amaouch, E. Renault, G. Montavon, N. Galland & J. Pilmé. In
E. Alikhani, R. Chauvin, C. Lepetit & B. Silvi (eds.),
Applications of Topological Methods in Molecular Chemistry,
Challenges and Advances in Computational Chemistry, Springer, pp.
553-582, 2016 ( PDF)
Design of next generation polarizable
force fields for improved classical simulations and QM/MM.
G. A. Cisneros, T. A. Darden, N. Gresh, P. Reinhardt, O. Parisel,
J. Pilmé and J-P Piquemal, in Multi-scale Quantum Models for
Biocatalysis: Modern Techniques and Applications, for the Book
Series: Challenges and Advances in Computational Chemistry
and Physics , ed. D. M. York and T.-S. Lee, 2009, Springer
Verlag. (PDF)
What can
tell topological approaches on the bonding in transition metal
compounds.
B. Silvi, J. Pilmé, F. Fuster and M.E. Alikhani. In N. Russo, D.R
Salahub, and M. Witko (eds)."Metal-Ligand Interactions :
Molecular-,Nano-Micro-Systems in Complex Environments". (Kluwer,
Dordrecht), 2003. NATO ASI SCIENCES SERIES: II : Mathematics,
Physics and Chemistry.
Other documents:
PhD, "Analyse Topologique de Quelques Interactions Métal-Ligand", 2003, PDF
Habilitation à diriger des recherches, "Analyse Topologique de la fonction ELF : de la molécule isolée aux milieux extrêmes", 2011