Electrostatic effects of solvation. By exploiting a revised version of the continuum dielectric solvation model proposed by Fattebert and Gygi (2002,2003), Environ allows to model the main electrostatic effects of a liquid solution on a solute, being it an isolated molecule or an incommensurate, linear or planar, system. The continuum dielectric approach, which is already a staple of quantum-chemistry calculations, is here extended to periodic and partially periodic (Andreussi 2014), possibly metallic, systems and  to perform molecular dynamics simulations. Moreover, the  method is easily tunable,  it requires minimal parametrization, while keeping an accuracy comparable or superior to more wide-spread approaches (Andreussi 2012).‚Äč


UNDER CONSTRUCTION