Monte carlo study of liquid water with two- and three-body ab initio potentials

2009 ◽  
Vol 24 (S10) ◽  
pp. 31-41 ◽  
Author(s):  
E. Clementi ◽  
G. Corongiu
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Liquid Water ◽  
Monte Carlo Study ◽  
Ab Initio Potentials ◽  
Three Body

Ab initio and diffusion Monte Carlo study of uracil–water, thymine–water, cytosine–water, and cytosine–(water)2

2000 ◽  
Vol 2 (6) ◽  
pp. 1281-1290 ◽  
Author(s):  
Tanja van Mourik ◽  
David M. Benoit ◽  
Sarah L. Price ◽  
David C. Clary
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Monte Carlo Study ◽  
Diffusion Monte Carlo ◽  
And Diffusion

scholarly journals Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo

2015 ◽  
Vol 142 (14) ◽  
pp. 144111 ◽  
Author(s):  
Andrea Zen ◽  
Ye Luo ◽  
Guglielmo Mazzola ◽  
Leonardo Guidoni ◽  
Sandro Sorella
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Liquid Water ◽  
Quantum Monte Carlo ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics

Ab initio and Monte Carlo study of solvent eÜects on a 1,3–dipolar cycloaddition

1998 ◽  
Vol 110 ◽  
pp. 379 ◽  
Author(s):  
Matthew P. Repasky ◽  
William L. Jorgensen
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Monte Carlo Study ◽  
Dipolar Cycloaddition

Linear-energy-transfer effects on the radiolysis of liquid water at temperatures up to 300°C – a Monte-Carlo study

2001 ◽  
Vol 341 (1-2) ◽  
pp. 135-143 ◽  
Author(s):  
Marie-Anne Hervé du Penhoat ◽  
Jintana Meesungnoen ◽  
Thomas Goulet ◽  
Abdelali Filali-Mouhim ◽  
Samlee Mankhetkorn ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Energy Transfer ◽  
Liquid Water ◽  
Linear Energy Transfer ◽  
Monte Carlo Study ◽  
Transfer Effects
Sign in / Sign up

Export Citation Format

Share Document