A new perspective on the order-n algorithm for computing correlation functions

By David Dubbeldam, D. Ford, D. Ellis, Randall Q. Snurr. 2009

93 citations recorded by the source corpus.

Subfields: Biomedical Engineering, Molecular Biology, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/5b178aede68bcb15dee44aef962c4f47ef9deb9d

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Biomedical Engineering

1. Randall Q. Snurr
2. Sofía Calero
3. D. Ellis
4. David Dubbeldam

In Molecular Biology

1. David Dubbeldam
2. Randall Q. Snurr
3. D. Ellis

In Spectroscopy

1. D. Ellis
2. Sofía Calero
3. Randall Q. Snurr
4. David Dubbeldam

Citations in the corpus

• RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials (2016, background): “The order-n algorithm for measuring MSDs conveniently and efficiently captures correlations over short, medium and long times.[59] In crystalline materials the MSDs become linear beyond l(2), where l is the repeating distance (usually the unit cell distance).”