Applications > ddt

Publications

Users of this package associated the following 2 publications with the XSEDE allocation/account under which they were running this software. Thus the publications may have come before or after the runs of this software, but the authors considered them to be related to the same line of research.

  • Qijun Hong (California Institute of Technology), Axel van de Walle (Brown University), (September2013) "Solid-liquid coexistence in small systems: A statistical method to calculate melting temperatures", The Journal of Chemical Physics 139 / 9, 094114. http://dx.doi.org/10.1063/1.4819792
  • Qijun Hong (California Institute of Technology), Axel van de Walle, (September2012) "Direct first-principles chemical potential calculations of liquids", The Journal of Chemical Physics 137 / 9, 094114. http://dx.doi.org/10.1063/1.4749287