One hundred years after the quantum mechanical revolution, chemistry has reached the level of a mature discipline, where the fundamental equations describing the interactions at the level of chemical bonding and intermolecular forces are in principle known. The grand challenge that we face today is in predicting and controlling with high accuracy the behaviour of chemical systems in the presence of complex interactions (heterogeneous phases, system not in thermodynamic equilibrium, interactions with strong electromagnetic fields, etc).
This is where computational modeling enters the game. Both software developments and the constant growth of massive parallel architectures allow us to overcome the heavy computational costs in simulations of atomic and molecular systems. Graphical user interfaces are also important tools used today in modeling chemistry
In addition to the general skills acquired in the Master of Science in Computational Science, we know that computer modeling is today a standard tool used in several chemistry labs both in research and industry — for example, drug development research and development units use computer modeling to optimise leads prior to their synthesis, which will make the profile of the graduate students very appealing in the job market.