Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Theory of Systematic Computational Error in Free Energy Differences   Systematic inaccuracy is inherent in any computational estimate of a
non-linear average, due to the availability of only a finite number of data
values, N. Free energy differences (DF) between two states or systems are
critically important examples of such averages in physical, chemical and
biological settings. Previous work has demonstrated, empirically, that the
``finite-sampling error'' can be very large -- many times kT -- in DF estimates
for simple molecular systems. Here, we present a theoretical description of the
inaccuracy, including the exact solution of a sample problem, the precise
asymptotic behavior in terms of 1/N for large N, the identification of
universal law, and numerical illustrations. The theory relies on corrections to
the central and other limit theorems, and thus a role is played by stable
(Levy) probability distributions.

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The categories of this paper are: cond-mat
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The categories of this paper are: quant-ph
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The categories of this paper are: q-alg
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The categories of this paper are: q-bio
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The categories of this paper are: nucl-ex
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The categories of this paper are: q-fin
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The categories of this paper are: ao-sci
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The categories of this paper are: solv-int
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The categories of this paper are: supr-con
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The categories of this paper are: chem-ph
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The categories of this paper are: chao-dyn
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The categories of this paper are: math-ph
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The categories of this paper are: gr-qc
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The categories of this paper are: hep-th
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The categories of this paper are: hep-ph
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The categories of this paper are: astro-ph