Computational chemistry for pollutant mitigation

Rueil-Malmaison (near Paris) - 13-14 March 2017


IFP Energies nouvelles organized the Computational chemistry for pollutant mitigation conference on 13 and 14 March at IFP Energies nouvelles in Rueil-Malmaison (closed to Paris).

"Thanks all participants, speakers, authors, chairpersons and the sponsors. You made this event a success!" 
The Organizing Committee



In times of increasing commitment to regulating pollutant emissions, the design of breakthrough cleanup technologies - either preventive or curative - has become essential for the sustainability of the combustion processes for power generation and transportation.

The Computational chemistry has made significant contributions to pollution control, revealing the mechanisms involved in pollutant formation and determining the key corresponding molecular parameters. Still, many challenges remain, notably concerning the interaction of energy transfer using molecular modeling with an ever-growing set of reactions in multiphase self-organizing combustion and post-combustion environments.
Recognizing the increasing contribution of nanotechnologies to pollutant abatement, this event aimed to bridge the gap between theoretical chemists and chemical engineers and to bring together specialists in combustion and plasma chemistry, heterogeneous catalysis experts and atmospheric chemists at one event. This international conference also aimed to promote discussion between participants from academic and industrial backgrounds, addressing applications as diverse as internal combustion engines, gas turbines, furnaces, thermal and catalytic after-treatment systems, and plasma depollution technologies.
This conference was destinated not only to computational chemists but also to experimentalists who devise advanced techniques capable of supporting and validating theoretical models.


Organized by


Under the auspices of the French Academy of Sciences


With the support of

MDlogo knockout RGB 178 187 30
SCM logo SoftwareChemistryMaterials

Will participate at the industrial session

Interview (video)

Les Rencontres scientifiques d'IFP Energies nouvelles,
what are they?
Xavier Longaygue (IFPEN Scientific Division) answers

Video Xavier-Longaygue

International Conferences
on key scientific subjects
to accelerate innovation

Important dates

March 2017
Final program
Abstract volume available