Large-scale first-principles molecular dynamics for electrochemical systems with O(N) methods
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3698583
Reference25 articles.
1. First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach
2. First-principles molecular dynamics simulation of biased electrode/solution interface
3. Electrode Dynamics from First Principles
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5. O(N)Krylov-subspace method for large-scaleab initioelectronic structure calculations
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