Electrolyte modeling, Machine learning, Wave function theory
SFG spectra modeling, Machine learning
Give me a task, I will compute it!
Multiscale modeling for electrochemical CO2 reduction
Many-body electronic structure theory, DFT, CO2 reduction
Electrochemical interfaces, DFT, Machine Learning
DFT, Electrochemistry, Machine Learning
Proton transport
Machine learning potentials for electrolytes
Cluster expansion
Computational modeling of electrocatalytic systems, Molecular dynamics simulations, Electrocatalytic synthesis of electrofuels