People
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.