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Reduced dimensionality representations of soft matter

Ellipsoid vs ball

Many phenomena in soft condensed matter occur on length and/or time scales that are unfeasible to study theoretically or computationally if every atom in the system is represented explicitly.

One strategy to address this issue to simplify the representation of a molecular system by systematically eliminating unimportant degrees-of-freedom to improve computational efficiency without sacrificing accuracy.

This project will use methods from statistical mechanics, machine learning, and artificial intelligence to develop algorithms to automate the dimensionality reduction process.

Projects include:

  • Identifying the optimal mapping of a molecular system onto a smaller number of ‘coarse-grained’‚ interaction sites, with a focus on anisotropic molecules; or
  • Identifying low-dimensional equations of motion from the trajectory of a high-dimensional dynamical system.

David Huang

Supervisor

 

Associate Professor David Huang

Research area: Theoretical chemistry, computational chemistry, physical chemistry, chemical physics - Huang GroupSchool of Physical Sciences

Recommended honours enrolmentHonours in Chemistry or Honours in Physics

Tagged in Honours projects - Chemistry, Honours projects - Physics, Honours Projects - David Huang, Honours in Physics subtheme - Other

Competition: Young Scientist of the Year

How do we feed the world’s growing population? How do we save our wildlife from extinction? Got an idea that will build a brighter, greener world?

Australian high school students are invited to submit a short video about one of Australia’s big science challenges.

Video competition