Welcome to Prof. Haji-Akbari’s Computational Soft Matter Group at Yale University Department of Chemical & Environmental Engineering. We are broadly interested in the application of modern theoretical and computational tools rooted in thermodynamics and statistical mechanics to study the thermodynamics and kinetics of phase transitions in soft matter systems. Our particular focus is on crystallization and aggregation in colloidal, aqueous and biological systems. Examples include the ice formation in the atmosphere, desalination nanotechnology, colloidal self-assembly and protein folding and aggregation.
Research
Explore our current research projects in crystallization, desalination, membrane nanotechnology and protein dynamics.
Recent News
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- Publication
45. Path dependence in alchemical calculations of water chemical potential in aqueous electrolytes
Kacirani A., Uralcan B., Haji-Akbari A. J. Chem. Phys. (2026)
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- Alumni
- Milestones
Fernanda joins Schrödinger Business Development team
Best of luck on your professional career Fernanda!
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- Conferences
Annie attends 12th iCoMSE Workshop at CU Boulder
Workshop theme was Biomolecular Molecular Dynamics and Modeling.