Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Approaching a parameter-free metadynamics   We present a unique derivation of metadynamics. The starting point for the
derivation is an on-the-fly reweighting scheme but through an approximation we
recover the standard metadynamics and the well-tempered metadynamics in a
general form while never appealing to the extended Lagrangian framework. This
work leads to a more robust understanding of the error in the computed free
energy than what has been obtained previously. Moreover, a formula for the
exact free energy is introduced. The formula can be used to post-process any
existing well-tempered metadynamics data allowing one, in principle, to obtain
an exact free energy regardless the metadynamics parameters.

14
The categories of this paper are: math-ph
21
The categories of this paper are: adap-org
25
The categories of this paper are: patt-sol
0
The categories of this paper are: hep-ph
18
The categories of this paper are: econ
11
The categories of this paper are: hep-lat
28
The categories of this paper are: alg-geom
3
The categories of this paper are: physics
37
The categories of this paper are: supr-con
31
The categories of this paper are: ao-sci
1
The categories of this paper are: cs
19
The categories of this paper are: eess
7
The categories of this paper are: hep-th
23
The categories of this paper are: solv-int
8
The categories of this paper are: hep-ex
22
The categories of this paper are: chao-dyn