Molecular Modeling High-Throughput Experimentation (HTE): Meeting the Challenges of Catalysts, Chemicals and Materials Design

2006

Pascal Raybaud, Hervé Toulhoat

Oil & Gas Science and Technology-Revue de l'IFP 61(4), 580 (2006)

In what follows, it is reported the detailed account of the presentations and discussions taking place at the round table on Molecular Modeling and High-Throughput Experimentation (HTE), meeting the challenges of catalysts, chemicals and Materials Design®. After the short introduction by H. Toulhoat (IFP), each panelist gave a 5 minute contribution illustrated by slides during the first part of the round table. S. Morin (IFP), D. Farrusseng (CNRS-IRC) and J. Nørskov (Technical University of Denmark) focused on general overviews and methodological aspects, while G. Baron (Vrije Universiteit of Brussels), R. Chianelli (Texas University), and C. Wolverton (Ford) described relevant specific examples. In the second part, questions and discussion were opened to the floor. Finally, a brief conclusion was proposed “on the fly” by H. Toulhoat.

  • linkedin3
  • Twitter Social Icon
  • YouTube Social  Icon
  • Facebook Social Icon
  • Google+ Social Icon
  • Researchgate

© 2019 by Materials Design, Inc. 

Privacy Policy
Materials Design® and MedeA® are registered trademarks of Materials Design, Inc.