The use of computational techniques has tremendously impacted materials chemistry in the last decades. A notable shift is from primarily using these approaches to understand fundamental materials properties to true predictions and design of new materials. This symposium will focus on these recent developments including new techniques such as crystal structure prediction or high-throughput approaches with an emphasis on energy related applications from Li-ion batteries, to porous materials and photovoltaics

Confirmed Invited speakers are: Kristin Person, Yanming Ma, Shyue Ping Ong, Berend Smidt, Rochus Schmid, Jenny Nelson, James Rondinelli, Michael Hayward

More information on http://www.iupac2019.org/symposium-2-1

Contributed abstracts will be accepted until April 21st 2019. The Symposium is part of the 47th IUPAC congress celebrating the 100th anniversary of IUPAC with more than 30 sessions and 200 invited speakers including several Nobel laureates.

Geoffroy Hautier and Caroline Mellot-Draznieks