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This international conference aims to promote the use of atomistic, molecular, and mesoscale simulations in the industrial environment. The focus is set on recent advances in theoretical and computational methods and their efficient implementation in Scienomics MAPS platform. With several case studies the highlight of the conference will be how MAPS with its powerful engines is addressing challenges faced by industrial R&D for product and process design and optimization. In particular, the added value of how understanding and predicting materials properties allow to design and select those that satisfy specific market requirements will be highlighted. The conference will cover several industrial areas including chemicals, oil & gas, materials and pharmaceuticals.

Keynote Speakers (alphabetically)

Dr. Niri Govind, Pacific Northwest National Lab, USA
Recent DFT & TDDFT Developments in NWChem for valence and core spectroscopies
Dr. Steve Plimpton, Sandia National Laboratories, USA
Molecular Dyanmics Modeling via LAMMPS: Capabilities and Future Plans
Prof. John Rehr, University of Washington, USA
Effects of nuclear motion in x-ray spectra: ab initio calculations of vibrational properties from DFT and real-time DFT/MD

The Program of The Conference will be announced on Oct. 21st, 2013

Important Dates

  • Call for Papers : Open
  • Abstract Submission by : 14 Oct. 2013
  • Registration Opens : 5 Aug. 2013
  • Response to Authors : 21 Oct. 2013
  • Preliminary Agenda : 21 Oct. 2013

Participation Fees (all taxes included)

  • General fee : $700. The fee includes accommodation for two nights, breakfast and lunch at the conference and banquet dinner on Nov. 12th.

Important links

The Scientific Committee (alphabetically)

Prof. Ioannis Economou, Texas A&M University at Qatar
Dr. Pluton Pullumbi, Air Liquide, France
Dr. Lalitha Subramanian, Scienomics, USA


T: +1-858-449-4564


Event date

Tue, 12/11/2013 - 09:00 - Wed, 13/11/2013 - 17:00

Event location

DoubleTree Suits by Hilton Butterfield Road 2111 60515 Downers Grove Illinois, United States