Publications
- Mie–FH: A quantum corrected pair potential in the LAMMPS simulation package for hydrogen mixtures Read publication
- Extrapolating into no man's land enables accurate estimation of surface properties with multiparameter equations of state
- Estimating metastable thermodynamic properties by isochoric extrapolation from stable states Read publication
- The influence of thermal diffusion on water migration through a porous insulation material Read publication
- Water adsorption on surfaces of calcium aluminosilicate crystal phase of stone wool: a DFT study Read publication
- Bulk and interfacial thermodynamics of ammonia, water and their mixtures
- Thermodynamically consistent modeling of gas flow and adsorption in porous media Read publication
- Structural, mechanical, electronic and thermodynamic analysis of calcium aluminum silicate crystalline phases in stone wool insulation materials: A first-principles study Read publication
- Free energy of critical droplets - From the binodal to the spinodal
- Classical density functional theory for interfacial properties of hydrogen, helium, deuterium, neon and their mixtures Read publication
Other
- The quasi-harmonic approximation: Solid equation of state for the prediction of thermodynamic properties and solid formation in fluid mixtures
- Equation of state for solid argon for prediction of hydrogen-argon mixtures.
- Developing 3D Modelling of Liquid Water and Vapor Transport and Condensation in Insulated Systems to Understand Corrosion Under Insulation
- Equation of State for Confined Nanosystems
- A missing thermodynamic ingredient in classical nucleation theory?
- What can Irreversible Thermodynamics do for us?
- Thermodynamic description of thin water films and mitigation of corrosion under insulation – what is the adsorbed phase?
- Equation of State for Nanosystems
- SAFT for quantum fluid mixtures and the hydrogen society: Present state of the art and fundamental challenges
- Simple Quantum Corrections Improve the Accuracy of Cubic Equations of State for Mixtures That Contain Hydrogen, Helium, Neon and Deuterium
