Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Theory of melting at high pressures: Amending Density Functional Theory
  with Quantum Monte Carlo   We present an improved first-principles description of melting under pressure
based on thermodynamic integration comparing Density Functional Theory (DFT)
and quantum Monte Carlo (QMC) treatments of the system. The method is applied
to address the longstanding discrepancy between density functional theory (DFT)
calculations and diamond anvil cell (DAC) experiments on the melting curve of
xenon, a noble gas solid where van der Waals binding is challenging for
traditional DFT methods. The calculations show excellent agreement with data
below 20 GPa and that the high-pressure melt curve is well described by a
Lindemann behavior up to at least 80 GPa, a finding in stark contrast to DAC
data.

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The categories of this paper are: hep-th
27
The categories of this paper are: comp-gas
22
The categories of this paper are: chao-dyn
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
10
The categories of this paper are: q-bio
8
The categories of this paper are: hep-ex
14
The categories of this paper are: math-ph
34
The categories of this paper are: chem-ph
30
The categories of this paper are: q-alg
23
The categories of this paper are: solv-int
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The categories of this paper are: q-fin
19
The categories of this paper are: eess
18
The categories of this paper are: econ
1
The categories of this paper are: cs