Apparent surface charge on the surface of caffeine that is embedded in a continuum salvation model
E Cancès, F. Lipparini, Y. Maday, B Mennucci, B. Stamm

"Fast domain decomposition algorithm for continuum solvation models: Energy and first derivatives" F Lipparini, B Stamm, E Cancès, Y Maday, B Mennucci Journal of Chemical Theory and Computation 9 (8), 3637-3648 "Domain decomposition for implicit solvation models" E Cancès, Y Maday, B Stamm The Journal of chemical physics 139, 054111