By Topic

Parallel Computation of Surrogate Models for Potential Energy Surfaces

Sign In

Cookies must be enabled to login.After enabling cookies , please use refresh or reload or ctrl+f5 on the browser for the login options.

Formats Non-Member Member
$31 $13
Learn how you can qualify for the best price for this item!
Become an IEEE Member or Subscribe to
IEEE Xplore for exclusive pricing!
close button

puzzle piece

IEEE membership options for an individual and IEEE Xplore subscriptions for an organization offer the most affordable access to essential journal articles, conference papers, standards, eBooks, and eLearning courses.

Learn more about:

IEEE membership

IEEE Xplore subscriptions

3 Author(s)
Mokrauer, D. ; Math. Dept., North Carolina State Univ., Raleigh, NC, USA ; Kelley, C.T. ; Bykhovski, A.

In this paper we describe a parallel algorithm for generating interpolatory approximations to molecular potential energy surfaces. We show how that algorithm can be applied to efficiently model a transition from a stable ground state, to an excited state, and finally to a different stable ground state.

Published in:

Distributed Computing and Applications to Business Engineering and Science (DCABES), 2010 Ninth International Symposium on

Date of Conference:

10-12 Aug. 2010