Running Projects
- Atomistic Molecular Dynamics Simulations (MD) of Ionic Liquids (ILs) and Deep Eutectic Solvents (DESs) for designing novel green ILs and DESs.
- Bulk viscosity from MD simulations
- Catalytic conversion of aromatics in zeolites Sebastian
- Chemical Equilibrium in Monte Carlo simulations
- Computing Thermodynamic and Transport Properties of Solutions using the Kirkwood-Buff Theory
- Computational discovery of hydrogen storage materials
- Design and optimization of nanomembranes based on reverse osmosis
- Development of fast and reliable methods for the calculation of transport coefficients of ionic liquids
- Electrochemical conversion of CO2 to valuable components
- Efficient application of continuous fractional component Monte Carlo (CFCMC)
- Evaluation of clay force fields for different applications
- Flow patterns in plate heat exchangers and local heat and mass transfer process
- Heat and mass transfer in contactor devices for Direct Air Capture
- Hydrocracking and hydroisomerization of hydrocarbons using zeolites
- Ionic Liquid-Refrigerant Mixture for Highly Efficient Absorption Heat Pump Systems
- Life-cycle Assesment and Techno-economic Analysis of Methane Pyrolysis
- Molecular Simulation of ILs and DESs
- Molecular simulations of wetting phenomena and solid-liquid interfaces
- Multiscale modelling of the photoelectrochemical interface
- New membranes for water desalination
- Phase equilibria predictions of binary and multicomponent mixtures
- Transport Properties from Molecular Dynamics Simulations
- Rigidity, fluidity, and yielding
- Understanding and controlling direct air capture under dynamic conditions
- Zeolites for aquatic pollutant removal