You know how when you cook or heat up something, it gets hot or maybe even changes shape? Well, scientists and engineers use a fancy word called "thermodynamics" to understand why that happens.
Now, "computational thermodynamics" is just using special computer programs to help scientists and engineers figure out what's going on. These programs use science and math to simulate what happens to materials when they get hot or cold, or change in other ways.
For example, let's say we want to figure out what happens to metal when it gets really hot. We can use a computer program that applies math equations to predict what the metal will do at different temperatures. These equations take into account things like how the atoms in the metal move around and how they interact with each other. By doing this, scientists and engineers can figure out which types of metals can handle high temperatures without melting or breaking.
Computational thermodynamics also helps scientists and engineers understand how to create new materials, like alloys, that have specific properties. By plugging in different combinations of elements and predicting how they will interact, they can create new metals that are stronger, lighter or more resistant to corrosion.
Overall, computational thermodynamics is like having a super smart friend (the computer program) who can help us figure out how materials behave when they get hot, cold or change in other ways.