28 citations · 29 across the 2 of their papers we have counts for
3 papers
Using a monomer potential energy surface to perform approximate path integral molecular dynamics simulation of ab-initio water with near-zero added cost
Daniel C. Elton, Michelle Fritz, M. -V. Fernández-Serra
It is now established that nuclear quantum motion plays an important role in determining water's hydrogen bonding, structure, and dynamics. Such effects are important to include in…
Optimization of an exchange-correlation density functional for water
Michelle Fritz, Marivi Fernandez-Serra, Jose M. Soler
We describe a method, that we call data projection onto parameter space (DPPS), to optimize an energy functional of the electron density, so that it reproduces a dataset of experim…
Electrostriction Effects During Defibrillation
Michelle M. Fritz, Phil W. Prior, Bradley J. Roth
Background-The electric field applied to the heart during defibrillation causes mechanical forces (electrostriction), and as a result the heart deforms. This paper analyses the phy…