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Computational Materials Science & Modeling Research

Materials icon

Computational materials science and modeling research is part of the overall program area of materials science and engineering (MSE) at Dartmouth supporting discovery in fundamental applied engineering as well as translational science in areas such as ice physics, nano- and bio-materials, energy harvesting and storage, and materials modeling.

Computational methods and modeling as applied to materials science enable prediction and optimization of the properties and behavior of new materials, particularly at the nanoscale. Microstructural evolution occurs by a variety of mechanisms and the ability to predict its effects on the macroscopic properties of materials has a wide range of applications.

Polymer matrix

Research Subfields

Modeling of microstructural evolution

Researchers

Harold J. Frost Harold J. Frost

Geoffroy Hautier headshot 2022 Geoffroy Hautier

Yan Li headshot2 Yan Li

Jifeng Liu IEEE Jifeng Liu