HS
Publications
- Computing solubility parameters of deep eutectic solvents from Molecular Dynamics simulations
- Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method
- Computation of gas solubilities in choline chloride urea and choline chloride ethylene glycol deep eutectic solvents using Monte Carlo simulations
- Thermodynamic, transport, and structural properties of hydrophobic deep eutectic solvents composed of tetraalkylammonium chloride and decanoic acid
- New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves
- Vapor pressures and vapor phase compositions of choline chloride urea and choline chloride ethylene glycol deep eutectic solvents from molecular simulation
- Interfacial Properties of Hydrophobic Deep Eutectic Solvents with Water
- Water diffusion mechanisms in bitumen studied through molecular dynamics simulations
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Co-workers & collaborators
- DD
David Dubbeldam
- OM
Othonas A. Moultos
- CC
Christophe Coquelet
- AR
Ahmadreza Rahbari
- RH
Remco Hens
- SC
Sofía Calero