Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Accelerating Auxiliary-Field Quantum Monte Carlo Simulations of Solids
  with Graphical Processing Unit   We outline how auxiliary-field quantum Monte Carlo (AFQMC) can leverage
graphical processing units (GPUs) to accelerate the simulation of solid state
sytems. By exploiting conservation of crystal momentum in the one- and
two-electron integrals we show how to efficiently formulate the algorithm to
best utilize current GPU architectures. We provide a detailed description of
different optimization strategies and profile our implementation relative to
standard approaches, demonstrating a factor of 40 speed up over a CPU
implementation. With this increase in computational power we demonstrate the
ability of AFQMC to systematically converge solid state calculations with
respect to basis set and system size by computing the cohesive energy of Carbon
in the diamond structure to within 0.02 eV of the experimental result.

19
The categories of this paper are: eess
0
The categories of this paper are: hep-ph
27
The categories of this paper are: comp-gas
30
The categories of this paper are: q-alg
13
The categories of this paper are: quant-ph
36
The categories of this paper are: cmp-lg
20
The categories of this paper are: acc-phys
10
The categories of this paper are: q-bio
12
The categories of this paper are: nucl-th
18
The categories of this paper are: econ
35
The categories of this paper are: mtrl-th
34
The categories of this paper are: chem-ph
9
The categories of this paper are: nlin
32
The categories of this paper are: atom-ph
31
The categories of this paper are: ao-sci
15
The categories of this paper are: nucl-ex