Computational Chemistry meets Artificial Intelligence CC2AI 13-15 June 2018 EPFL, Lausanne - Switzerland

Murat Kiliç murat... at
Tue Mar 27 07:38:18 UTC 2018

Dear Colleagues,

It is our pleasure to invite you to give a lecture at the IAQMS satellite
meeting entitled “Computational Chemistry meets Artificial Intelligence
CC2AI” ( This 3-day collaborative opportunity will
take place on June 13 - 15th at EPFL, Lausanne, Switzerland.

Artificially intelligent algorithms are becoming an increasingly prominent
field of research, with interesting applications in molecular and material
property prediction, structural and compositional analysis as well as
chemical compound and materials design. The main goal of this conference is
to bring together research groups from biomolecular simulations and
ab-initio computation with those from machine learning and
evolutionary/stochastic optimisation to further encourage the development
of these fields.

The deadline for the submission of posters and contributed talks is 15th
April 2018.


·      Analysis of high-dimensional molecular simulation data with the help
of feature selection algorithms

·      Biomimetic design of proteins via stochastic optimisation

·      Density functional optimisation and development

·      Dimensionality reduction and collective variables

·      Descriptor identification

·      Machine learning of static and dynamical properties of molecules and

·      Machine learning of phase diagrams and classification of new phases

·      Machine learning of potential energy surfaces and atomic forces

·      Machine learning based force fields

*Invited speakers include *

   Paul Ayers, McMaster University - Canada

   Albert P. Bartok, STFC - United Kingdom

   Kieron Burke, University of California - United States

   Pablo Campomanes, University of Fribourg - Switzerland

   Clemence Corminboeuf, EPFL - Switzerland

   Anatole von Lilienfeld, University of Basel - Switzerland

   Nicola Marzari, EPFL - Switzerland

   Michele Parinello, ETH Zurich - Switzerland

   Alessandro De Vita, King's College London - United Kingdom

Cordially, the organizers

  Ursula Roethlisberger

  Nicholas Browning

  Murat Kilic

  Justin Villard
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