Atomistic Simulations of Phase Equilibria and Fluid Properties for Process Design: What is Possible Today and What is in Store for the Future?

Data-to-Design: Integrating Molecular Simulations, Thermophysical Property Measurements, and Process Optimization to Recycle Hydrofluorocarbon Refridergent Mixtures

The Intricacies of Solid Solutions of Water and Gas: Fundamentals to Energy Solutions

Theory and simulation studies of structure and phase behavior in polymer blends with isotropic and directional interactions

Ionic liquids electrolytes for lithium-ion batteries: solvation and transport properties

Triphilic fluids: towards compartmentalised nano systems

From phase equilibria to the computational design of novel strategies for the treatment of fluorinated greenhouse gases

Experimental determination of bubble points of hydrocarbons in nanopores

Modeling and computation of phase equilibria for reactive or non-reactive systems involving fluid and/or solid phases

Temperature and Pressure Induced Phase Transitions of Ionic Liquids

First-principles-based Machine Learning: Combining Symbolic-AI with Numeric-AI