Events Calendar

Welch Foundation Visitors Series - Data-Driven Design for Energy Materials

Tuesday, September 26, 2023
3:30 pm - 4:30 pm

Location: EER 3.646


Fueled by our abilities to compute materials properties and characteristics orders of magnitude faster than they can be measured and recent advancements in harnessing literature data, we are entering the era of the fourth paradigm of science: data-driven materials design. The Materials Project ( uses supercomputing together with state-of-the-art quantum mechanical theory to compute the properties of all known inorganic materials and beyond, design novel materials and offer the data for free to the community together with online analysis and design algorithms. The current release contains data derived from quantum mechanical calculations for over 150,000 materials and millions of properties. The resource serves a growing community of data-rich materials research, currently supporting over 400,000 registered users and delivering over 5-10 million data records each day through the API. The software infrastructure enables thousands of calculations per week – for screening and predictions - for both novel solids as well as molecular species with target properties.  To exemplify our approach we will highlight a few projects related to energy applications that have been successfully concluded or are being pursued using the capabilities that has emerged from our approach of data informed materials design. Such projects include a reaction network to predict the solid electrolyte interface formation and discovery of novel electrolytes.


Kristin Persson is the Daniel M. Tellep Distinguished Professor at the University of California, Berkeley and the Director of the Molecular Foundry, a user facility at Lawrence Berkeley National Lab.  She is also the Director and founder of the Materials Project which is a world-leading resource for materials data and design. She has received the DOE Secretary of Energy’s Achievement Award twice, the TMS Cyril Stanley Smith Award, the TMS Faculty Early Career Award, the Falling Walls Science and Innovation Management Award, the LBNL Director’s award for Exceptional Scientific Achievement and she is an MRS Fellow, an AAAS Fellow and an APS Fellow. She holds several patents in the clean energy space and has co-authored more than 270 peer-reviewed publications. 

Speaker: Dr. Kristin Persson, UC Berkeley