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Workshop on "Computer Simulation of Chemica ... (No replies)

j.kohanoff
7 years ago
j.kohanoff 7 years ago

Dear Colleagues,

We are pleased to announce the following Workshop on “Computer Simulation of Chemical Technologies involving Confined Liquids” to be held at University College Dublin (Ireland) on 18th and 19th June, 2018.

This workshop is the closing activity of the ENACT (http://titus.phy.qub.ac.uk/enact/) EC-funded H2020-MSCA-RISE collaboration between Queen’s University Belfast (UK), University College Dublin (ROI), ISIS-STFC (UK) and Universidad Nacional de Cuyo (ARG), that brings together experimental and computational scientists in the fields of Ionic Liquids, Porous Liquids, Dye-Sensitized Solar Cells, Heat Storage Materials, Biomimetic Membranes and Mechanochemistry.

In this Workshop we wish to discuss strategies that will further the synergy between particle-based simulation methods and the synthesis and characterization of materials and chemical processes involving confined fluids. Moreover, we would like to discuss avenues for developing high-throughput strategies when liquid phases are involved. There will also be a session focusing on the commercial exploitation of modelling and simulation.

The workshop programme features invited talks and a Poster session. At this stage, we are welcoming contributions for Posters. The deadline for abstracts is 12th of May 2018. There is no registration fee for this event.

Workshop information, programme, registration and abstract submission pages are available on our website: https://www.cecam.org/workshop-0-1656.html

 

For informal enquiries, please contact [email protected], or any of the organizers below. We hope to welcome you in Dublin in June.

The organising committee,

Niall English (UCD), Mario del Pópolo (Mendoza), Jorge Kohanoff (QUB), and Tristan Youngs (STFC)




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Ab initio (from electronic structure) calculation of complex processes in materials