Screening of electrocatalysts by Density Functional Theory
Solid-liquid interfaces, electrocatalysis, CO2 reduction
GW/BSE, non-empirical hybrid functional for high throughput screening, energy conversion and storage
Nanofiltration, Carbon materials, CNT’s, Transport in nonaqueous solvents, Molecular dynamics
Density Functional Theory for photochemical CO2 reduction
Electrochemical interfaces, Force fields, reaxFF, Machine learning
Lithium ion battery, Battery Performance & Safety, Electrode materials and technology