Scienomics is co-sponsoring this event and running the following workshop at 16:00 on 31st August:
From molecular simulations to thermodynamic modeling
Perform thermodynamic modeling of materials and processes based on physical properties for pure components and mixtures which have been generated by standard molecular simulation techniques.
| 16:00 – 16:30 | Introduction to MAPS platform |
| 16:30 – 17:15 | From quantum calculations to physical property prediction: hierarchical modeling approach |
| 17:15 – 18:00 |
Case studies: (a) Chemical industry (b) Pharmaceutical industry |
Interested participants should:
(a) Register prior to the workshop, through e-mail to: info@thermodynamics2011.org. The number of available seats for the workshop is limited.
(b) Bring their own laptop computer. The workshop involves hands-on training using software to be provided by Scienomics.
Workshop coordinator: Dr. Xenophon Krokidis, Managing Director, e-mail: Xenophon.Krokidis@scienomics.com.
The workshop is offered free of charge to Thermodynamics 2011 conference participants
Link to Thermodynamics 2011 home page