The effects of quantum protons in hydrogen bonded systems

Wednesday, September 24, 2008 -
2:00pm to 4:00pm
Feynman's path integral formulation of equilibrium statistical mechanics allows us to include nuclear quantum effects in computer simulations. This is particularly important when dealing with light particles like the protons participating in hydrogen bonds. In this seminar I will discuss the special challenges posed by proton tunneling events and will review semi-classical approximations that could simplify the calculations.
Speaker: 
Roberto Car
Princeton University
Event Location: 
Jadwin Hall 343