Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Dielectric properties of nano-confined water: a canonical
  thermopotentiostat approach   We introduce a novel approach to sample the canonical ensemble at constant
temperature and applied electric potential. Our approach can be
straightforwardly implemented into any density-functional theory code. Using
thermopotentiostat molecular dynamics simulations allows us to compute the
dielectric constant of nano-confined water without any assumptions for the
dielectric volume. Compared to the commonly used approach of calculating
dielectric properties from polarization fluctuations, our thermopotentiostat
technique reduces the required computational time by two orders of magnitude.

23
The categories of this paper are: solv-int
12
The categories of this paper are: nucl-th
34
The categories of this paper are: chem-ph
28
The categories of this paper are: alg-geom
33
The categories of this paper are: plasm-ph
5
The categories of this paper are: gr-qc
16
The categories of this paper are: stat
22
The categories of this paper are: chao-dyn
14
The categories of this paper are: math-ph
36
The categories of this paper are: cmp-lg
37
The categories of this paper are: supr-con
9
The categories of this paper are: nlin
10
The categories of this paper are: q-bio
18
The categories of this paper are: econ
19
The categories of this paper are: eess
35
The categories of this paper are: mtrl-th