In silico materials design: porous high-pressure intermetallics and rattling Heusler compounds. I will give a talk on my recent reserach results at the Cornell University. The talk will be aimed at anyone interested in how to use computer simulations effectively to investigate materials. The focus will be on structure prediction methods, and how they can Read More …
Semiconducting half and, to a lesser extent, full Heusler compounds are promising thermoelectric materials due to their compelling electronic properties with large power factors. However, intrinsically high thermal conductivity resulting in a limited thermoelectric efficiency has so far impeded their widespread use in practical applications. Here, we report the computational discovery of a class of Read More …
I am delighted to announce the launch of Materials X, my personal platform reporting on discoveries in the area of materials exploration.