Molecular, Materials, and Condensed Matter Theory/Computation @ UNC

UNC is home to a number of theoretical/computational research groups that are interested in studying exciting problems in molecular, materials, and condensed matter sciences. Prospective PhD students and post-doctoral researchers are encouraged to contact the faculty members directly for research opportunities.



Faculty Members:


Prof. Andrey Dobrynin

Research Interests: Soft Matter Theory, Polymers

Primary Home Department: Chemistry

Website: https://dobryninlab.unc.edu/


Prof. Yosuke Kanai

Research Interests: Theoretical/Computational Chemistry, First-Principles Electronic Structure Theory, Materials Physics and Chemistry, Condensed Matter Theory

Primary Home Department: Chemistry, Physics and Astronomy

Website: https://www.kanai-group.org/


Prof. Daphne Klotsa

Research Interests: Soft Matter, Computer Simulations, Self-Assembly, Packing, Active Matter, Granular Materials

Primary Home Department: Applied Physical Sciences

Website: https://klotsagroup.wixsite.com/home


Prof. Zhiyue Lu

Research Interests: Thermodynamics of Nano-Systems, Nonequilibrium Thermodynamics and Statistical Physics, Information Processing in (Bio)Chemical Systems, Intelligent Biomimetic Materials.

Primary Home Department: Chemistry

Website: https://zhiyuelu.wixsite.com/unc-lu-group


Prof. Ehssan Nazockdast

Research Interests: Soft matter, Fluid Dynamics, Biophysics and Cell Mechanics, Computational Physics, Suspension Mechanics.

Primary Home Department: Applied Physical Sciences

Website: http://nazockdastlab.com/index.html


Prof. Elisa Pieri

Research Interests: Computational/Theoretical Chemistry, Photochemistry, Protein Engineering

Primary Home Department: Chemistry

Website: https://www.pierilab.com/