Quantum Monte Carlo on Graphical Processing Units (2008)
Amos Anderson William, A. Goddard Iii, Peter Schröder
Quantum Monte Carlo (QMC) is among the most accurate methods for solving the time independent Schrödinger equation. Unfortunately, the method is very expensive and requires a vast array of computing...
Formation of water at a Pt(111) surface: A study using reactive force fields (ReaxFF) (2008)
Markus J. Buehler, Timo Jacob, Yunhee Jang, Boris Berinov, A. Goddard Iii
In this paper, we report preliminary studies of formation of water from molecular oxygen and hydrogen. Using a series of atomistic simulations carried at finite temperature, we describe the dynamics...