Show simple item record

dc.creatorZhang, Cheng
dc.date.accessioned 2011-07-25T01:37:36Z
dc.date.available 2011-07-25T01:37:36Z
dc.date.issued 2009
dc.identifier.urihttps://hdl.handle.net/1911/61757
dc.description.abstract A method of directly computing the partition function (or the corresponding free energy) and accelerating configurational sampling is developed. In an expanded ensemble, the method can quickly sample a broad distribution and yield accurate results for the partition function. The method is shown to be efficient and accurate in studying thermodynamic properties, searching low-energy configurations of difficult molecular systems and counting solutions of puzzles.
dc.format.mimetype application/pdf
dc.language.iso eng
dc.subjectPhysical chemistry
Theoretical physics
Biophysics
dc.title Enhanced sampling method for free energy calculation and large scale conformational change
dc.type.genre Thesis
dc.type.material Text
thesis.degree.department Chemistry
thesis.degree.discipline Natural Sciences
thesis.degree.grantor Rice University
thesis.degree.level Masters
thesis.degree.name Master of Science
dc.identifier.citation Zhang, Cheng. "Enhanced sampling method for free energy calculation and large scale conformational change." (2009) Master’s Thesis, Rice University. https://hdl.handle.net/1911/61757.


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record