+
+
+ Cooper Tezak
- -
-
+ PhD Student, CU Boulder
-Atomic Broker
- -
- 
- 
+ Matching catalysts with reactions through simulation
-I use grand-canonical density functional theory to simulate - the electrified interface between catalyst and electrolyte. My simulations have shown - previously unknown potential dependence of fundamental catalytic phenomena that, across material - spaces, have significant impacts on electrocatalyst design. The data generated throughout my PhD is - publicly available - and accompanied by an user interface that facilitates data exploration.
-- I seek generalizable chemical knoweldge that can be used to design catalysts for arbitray - reactions. By smartly restricting chemical space and leveraging massively parallel workflows, - I can quickly downselect material spaces to a few promising candidates. My goal is to match - catalysts with reactions by identfiying kinetic bottlenecks that can be manipulated with - smart catalyst design. -
+Matching catalysts with reactions through simulation
+I use grand-canonical density functional theory to simulate + the electrified interface between catalyst and electrolyte. My simulations have shown + previously unknown potential dependence of fundamental catalytic phenomena that, across material + spaces, have significant impacts on electrocatalyst design. The data generated throughout my PhD is + publicly available + and accompanied by an user interface that facilitates data exploration.
++ I seek generalizable chemical knoweldge that can be used to design catalysts for arbitray + reactions. By smartly restricting chemical space and leveraging massively parallel workflows, + I can quickly downselect material spaces to a few promising candidates. My goal is to match + catalysts with reactions by identfiying kinetic bottlenecks that can be manipulated with + smart catalyst design. +
+