Understanding and improving free energy calculations in molecular simulations: Error analysis and reduction methods

Nandou Lu, Thomas B Woolf

Research output: Contribution to journalArticle

Original languageEnglish (US)
Pages (from-to)199-247
Number of pages49
JournalSpringer Series in Chemical Physics
Volume86
DOIs
StatePublished - 2007

Fingerprint

error analysis
free energy
simulation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

@article{4f3eab6460a14e0e8b491f9b035155b3,
title = "Understanding and improving free energy calculations in molecular simulations: Error analysis and reduction methods",
author = "Nandou Lu and Woolf, {Thomas B}",
year = "2007",
doi = "10.1007/978-3-540-38448-9_6",
language = "English (US)",
volume = "86",
pages = "199--247",
journal = "Springer Series in Chemical Physics",
issn = "0172-6218",
publisher = "Springer New York",

}

TY - JOUR

T1 - Understanding and improving free energy calculations in molecular simulations

T2 - Error analysis and reduction methods

AU - Lu, Nandou

AU - Woolf, Thomas B

PY - 2007

Y1 - 2007

UR - http://www.scopus.com/inward/record.url?scp=62849103081&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=62849103081&partnerID=8YFLogxK

U2 - 10.1007/978-3-540-38448-9_6

DO - 10.1007/978-3-540-38448-9_6

M3 - Article

AN - SCOPUS:62849103081

VL - 86

SP - 199

EP - 247

JO - Springer Series in Chemical Physics

JF - Springer Series in Chemical Physics

SN - 0172-6218

ER -