Output details
15 - General Engineering
University of Cambridge
Article title
Efficient sampling of atomic configurational spaces.
Type
D - Journal article
Title of journal
J Phys Chem B
Article number
-
Volume number
114
Issue number
32
First page of article
10502
ISSN of journal
1520-5207
Year of publication
2010
Number of additional authors
2
Additional information
This work, which developed the first plausibly efficient (linear scaling) evaluation of the partition function and the absolute free energy of an atomistic system, was taken up by Prof David Wild (Warwick, ID_in_audit_file@warwick.ac.uk) who applied it to protein folding with help from the authors. Prof Wild now has 2 people working on this project in close collaboration with the Cambridge authors. Dr Livia Partay gained a Junior Research Fellowship in St Catherine's College (Cambridge) based on this work.
Interdisciplinary
-
Cross-referral requested
-
Research group
None
Proposed double-weighted
No
Double-weighted statement
-
Reserve for a double-weighted output
No
Non-English
No
English abstract
-
