Dr. Keith Lawler

My primary research interest lies in studying systems where strong electron correlation effects are the source of exotic bonding or unique properties (i.e. magnetism and superconductivity), or where intricate changes in the bonding motif drive an observed phase change. This involves studying a system’s electronic structure; its properties, both structural and spectroscopic; and its response to external stimuli such as pressure and temperature. Understanding these electron driven properties and responses is fascinating from a scientific point of view, and it will be the key to unlocking the next generation of functional materials.

For instance, understanding why the recently discovered superhydride superconductors have such high superconducting temperatures will enable us to build that into new materials with significantly milder synthesis conditions. I am also interested in exploring the possibilities being created by the new FELs coming on-line such as X-ray shock and novel spectroscopies. Other problems I have explored are gas adsorption by porous materials and a number of technetium systems to understand their bonding, the negative thermal expansion observed in the heptoxide, and the speciation of volatile molecules formed during waste form vitrification. Our research also frequently employs crystal structure prediction and predicted Raman spectra to understand the phase evolution in materials with geological, radio-wasteform, or industrial semiconductor relevance.

Expertise

Electronic Structure Theory; Crystal Structure Prediction; Molecular Dynamics; Monte Carlo; Chemical Bonding; Simulated Spectroscopy

Education

Postdoctoral Researcher, Lawrence Berkeley National Laboratory, Berkeley, CA

Ph.D., Physical Chemistry, University of California, Berkeley, CA

B.S., Chemistry, University of Texas, Austin, TX