Peter Lile

Efficient Generation of K-point Grids for Quantum ESPRESSO and Catalytic Role of CoP ( 101 ) for Electrochemical Hydrogen Evolution Compared with Pt ( 100 ) and Pt ( 111 )

Tim Mueller, Liang Cao, Chenyang Lee, 2018 .

A database of low-energy atomically precise nanoclusters

Tim Mueller, Sukriti Manna, Peter Lile, 2021, Scientific data.

Accelerated prediction of atomically precise cluster structures using on-the-fly machine learning

Tim Mueller, Alberto Hernandez, Yunzhe Wang, 2021, npj Computational Materials.