Positronium atoms in liquids

Our model is motivated by the applications of the positronium atom in condensed matter and medicine, in which a molecular-level description of this atom should shed light on this atom's properties poorly understood in the liquid phase. We considered the sequential Quantum Mechanics/Molecular Mechanics approach, composed of classical simulations followed by quantum calculations to model positronium atoms in liquid phase. Our QM/MM protocol predict the lifetime of positronium solvated in liquids, and can be applied to other complex systems in liquid phase.