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