What is computational materials science?
Computational materials science (CMS) is a broad area that applies a range of computational methods to model materials. The goal is to provide insight into materials properties and assist in the design of novel materials to meet today’s grand challenges in diverse areas such as energy, medicine, and microelectronics. CMS has become increasingly important in modern research, and many major companies, such as ExxonMobil, IBM, Ford, Motorola, and GE, have long-standing simulation groups in their research division. Computational simulations are also routinely used in disparate areas such as NASA, defense research, drug design, and geological research. In CMS research you work in a virtual instead of a physical laboratory. All the “computational” experiments are run on powerful computing clusters – this is all done remotely on a desktop or laptop. This approach allows us to harness the power of modern computing to perform complex simulations that are directly applicable to real-world materi
