Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program (bibtex)

by Jonas Feldt, Sebastião Miranda, Frederico Pratas, Nuno Roma, Pedro Tomás and Ricardo A. Mata

Reference:

J. Feldt, S. Miranda, F. Pratas, N. Roma, P. Tomás, R. A. Mata, "Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program", The Journal of Chemical Physics, vol. 147, no. 24, dec 2017, pp. 244105.

Bibtex Entry:

@Article{jcp17,
  author     = {Jonas Feldt and Sebastião Miranda and Frederico Pratas and Nuno Roma and Pedro Tomás and Ricardo A. Mata},
  journal    = {The Journal of Chemical Physics},
  month      = {dec},
  title      = {Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program},
  doi        = {10.1063/1.5009820},
  eprint     = {https://doi.org/10.1063/1.5009820},
  number     = {24},
  pages      = {244105},
  url        = {nfvr_pubs/jcp17.pdf},
  volume     = {147},
  keywords   = {read},
  readstatus = {read},
  year       = {2017},
}