Is there such a thing as computational Material Science?

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A Materials Science graduate degree offers diverse opportunities beyond experimental work, particularly in computational materials science. This field involves creating models and simulations to analyze material behaviors, such as stress responses, which can be more cost-effective than lab experiments. Computational research in materials science is highly interdisciplinary, often intersecting with traditional fields like mechanical engineering and physics. Courses on simulations, such as soft-body simulations, are available across various departments, emphasizing the importance of modeling in research. Theoretical approaches, including density functional theory and molecular dynamics, are commonly used in this area, with many research groups focusing on both existing and hypothetical materials.
myranaira
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I was wondering because I'm interested in getting a Materials science graduate degree, but was wondering if my options would be limited to experimental work. What sort of work would comp. materials science involve? My rough guess would be creating models/simulations of materials as opposed to creating them in the lab, to test for things like how they react to stress, but I'd like some more information. Also, since materials science is pretty interdisciplinary does anyone know if computational research would tie into a more "traditional" field such as mech. engineering or physics?
 
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I took a course in soft-body simulations which was offered by the Materials Science & Engineering department. There are lots of situations which require good models ... computer time is much cheaper than clean room time.

This type of course can appear in physics, astronomy, chemistry, engineering, etc. You would need to look closely at the programs which interest you.
 
Most definitely. I actually work on the more theoretical physics side of a theoretical chemistry/materials science research group. We model both real and proposed material using computational tools like density functional theory and molecular dynamics. I know of many other groups that do similar work.
 
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