We present a general analytic method for understanding how specific motions of a classical bath influence the dynamics of quantum mechanical observables in mixed quantum/classical molecular dynamics simulations. We apply our method and develop expressions for the special case of quantum solvation, allowing us to examine how specific classical solvent motions couple to the equilibrium energy flu...

The mixed solvent approach has been demonstrated as a promising method to modify nanomorphology in polymer solar cells. This work aims to understand the unique role of the additive in the mixture solvent and how the optimized nanoscale phase separation develops laterally and vertically during the non-equilibrium spin-coating process. We found the donor/acceptor components in the active layer ca...

Dimethyl ether (DME) is a compound first introduced by Shell as chemical solvent for enhanced oil recovery (EOR). This study aims to investigate the efficiency of EOR using minimum miscible pressure (MMP) and viscous gravity number when mixed CO2 DME injected. Adding water-alternating-gas process reduces MMP number. Reduction in results conditions at lower pressures, which has favorable effect ...