An adaptive finite-element method for large-scale ab initio molecular dynamics simulations
Author:
Affiliation:
1. Nanomaterials Research Institute
2. National Institute of Advanced Industrial Science and Technology (AIST)
3. Tsukuba 305-8568
4. Japan
5. Graduate School of Engineering
6. Chiba University
7. Chiba 263-8522
Abstract
A snapshot of ab initio molecular dynamics simulations for a polymer electrolyte membrane at low hydration.
Funder
Ministry of Education, Culture, Sports, Science, and Technology
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP00320B
Reference85 articles.
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4. Atomistic-to-continuum coupling
5. Pseudopotential methods in condensed matter applications
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