… the ionic accumulation is (who would have thought) scientific answers. The program is supposed to simulate the evolution of the hydration shell and return values like e.g. the Nernst layer around an ion – protein complex. Variations in the … Continue reading →

I try to understand the accumulation of ions in Water by programming a simulation. Approach Using python and the equations of physical chemistry, a virtual solution is set up. All input parameters can be measured, calculated using ab initio methods … Continue reading →