Our understanding of microscopic systems depends heavily on our ability to connect macroscopic observations to molecular pictures. Improving this connection will advance a wide variety of fields of inquiry.


Our research uses modern computational techniques to elucidate the structure and dynamics of complex molecular systems. We connect these observations directly to experiments via fruitful collaboration.


We use state-of-the-art supercomputing clusters and high performance python-wrapped computational chemistry software. This enables us to build complex models with simple interfaces.



Sunny Truslow ’21

Silica Nanoparticle Biocoronas

Genevieve C. Uy ’22


Sara Hunsberger ’22

Alkyne Vibrational Spectroscopy

Scott Kaiser ’22

Complex Ionic Liquids

Ali M. Altamimi ’22

Alkyne Vibrational Spectroscopy

Daniela Moreira ’23

Protein-Avoidant Ionic Liquids

Avi Patel ’23

Silica Nanoparticle Biocoronas

Logan Smith ’23

Complex Ionic Liquids

Clyde A. Daly Jr.

Principal Investigator


Daniela is a Chemistry and Physics Major from Rockville, Maryland. […]
Ali is a Chemistry major with concentrations in Biochemistry and […]
Scott (he/him/his) is a Chemistry major from Scotch Plains, NJ. […]
Ionic Liquids (ILs) are known to form charge alternating layers […]