斯坦福界面催化研究中心(SUNCAT)招聘异相催化理论计算博后

ca0yan9

Stanford U/SLAC seeks Postdoc to use QMC methodology for Heterogeneous Catalysis

https://suncat.stanford.edu/oppo ... rogeneous-catalysis


We seek quantum Monte Carlo (QMC) expert/s to apply the latest generation of the QMC codes on peta and exa-scale computers with goal to create new catalytic adsorption benchmarks on metal-oxides systems. This is a 2 year position with benefits and relative independence with appointment via Stanford University and SLAC. Position is available immediately.

Please dont hessite to reach to bajdich@stanford.edu about the details.

Staff Scientist

Research Interests:
The main goal of my research is to use the state-of-the-art computational methods in tandem with experiment to achieve understanding of the structure and the reaction mechanism of the most promising catalysts. The largest breakthrough is needed in the catalysis of the electrochemical water splitting and oxygen reduction, CO2 reduction, and ammonia synthesis where the Active, Stable, and Earth-abundant catalysts are yet to be discovered. My ab initio computational approach provides detailed understanding of these systems and in turn allows for atomistic tuning of the properties of interest. More recently, high-throughput screening based approaches have emerged as efficient tools for discovery of new materials.Particular systems of interest are

Surfaces of transition-metal oxides
Nanoparticles and nanostrctures of metal-oxides, overlayers on metalic supports
molecular bonding on surfaces
Methodology

Density Functional Theory (DFT) and its corrections: EXX, DFT+U
DFT with correlations: Random Phase Approximation and GW
Catalysis-Hub.org database, highthroughput screening, data visualization, descriptors
Quantum Monte Carlo and quantum chemistry and DFT functional testing