ComplexMixtures.jl: Investigating the structure of solutions of complex-shaped molecules from a solvent-shell perspective
Leandro Martı́nez
Topics & Concepts
Molecular dynamicsSolvation shellMonte Carlo methodStatistical physicsSolvationChemistryMoleculeMacromoleculeComputational chemistryBilayerRadial distribution functionChemical physicsPhysicsMathematicsMembraneOrganic chemistryStatisticsBiochemistryPhase Equilibria and ThermodynamicsSpectroscopy and Quantum Chemical StudiesThermodynamic properties of mixtures