2018 Physics/Theoretical Colloquium Thursday, March 22nd, 2018 3:45 – 4:45 p.m. Rosen Auditorium (TA-53, Bldg. 1) Refreshments at 3:15pm Speaker: Dr. Turab Lookman T-4: Phys of Condensed Matter and Complex Systems Los Alamos National Laboratory “Materials Informatics: Accelerated Search for Materials with Targeted Properties” Abstract: Finding new materials with targeted properties has been one of the goals of the Materials Genome Initiative. The complexity due to the interplay of structural, chemical and microstructural degrees of freedom in materials makes the rational design of new materials difficult. Machine learning and optimization, used in industry for solving complex problems, are increasingly being adapted to learn effectively from past data. The emphasis so far has been on generating large databases from electronic structure calculations conducted at T=0 in the hope of down selecting promising candidates. I will discuss the efficacy of such an approach and contrast it from work first initiated at LANL in 2012-2013 focused on iteratively guiding˙ experiments in an ‘active learning’ loop to find alloys and ceramics with desired properties.