Principle Investigator

Tyler Luchko


Associate Professor in the Department of Physics & Astronomy

Group Members

Current Members

Steven Ayoub - undergraduate student
Constant pH calculations.
Michael Barton - volunteer, former graduate student
Absolute binding free energy calculations.
Dylan Daw - graduate student
Room temperature ionic liquids.
Vahe Grigorian - graduate student
small molecule solvation and machine learning
Alexander McMahon - undergraduate student
RISM divalent ions
Tiannah York Van Elselande - undergraduate student
RNA solvation

Former Members

Postdoctoral Scholar

Tsogbayar Tsednee
Liquid state theory.
1D- and 3D-RISM development.

Graduate Students

Garrett Limon
Numerical methods and performance enhancements for 3D-RISM.
Multipole description of solvation electrostatics.

Undergraduate Students

Matthew Alegrete
Supercooled water simulations.
Lizet Casillas
Hydration free energy of small molecules.
Kevin Joyce
End-state binding free energy on large protein-ligand data sets.
Jacob Kleine
End-state host-guest binding free energy calculations.
Jeffrey Lillibridge
End state host-guest binding free energy calculations.
Patrick McMillin
Supercooled water simulations.
End-state host-guest binding free energy calculations.

High School Students

Sifath Mannan
Constant pH calculations.