free energy calculations

Free energy calculations measure the amount of work available to drive a process, such as a chemical reaction, under specific conditions. They help predict whether a reaction will occur spontaneously and how likely products are to form. Essentially, they quantify the balance between energy stored in bonds and the disorder (entropy) of a system. A negative change in free energy indicates a reaction can happen naturally, while a positive change suggests it’s unlikely without added energy. These calculations are crucial in chemistry, biology, and materials science for understanding and designing processes at the molecular level.