Abstracts Book - IMRC 2018

Acknowledgment:
This work was supported by Argonne LDRD-2017-012-N0. Use of the Center for
Nanoscale Materials and the resources of the Argonne Leadership Computing
Facility was also supported by the U. S. Department of Energy (DOE), Office of
Science, Office of Basic Science, under the contract no. DE-AC02-06CH11357.
This research used resources of the National Energy Research Scientific
Computing Center, a DOE office of science user facility supported by the Office
of Science of the US Department of Energy under contract no. DE-AC02-
05CH11231. An award of computer time was provided by the Innovative and
Novel Computational Impact on Theory and Experiment (INCITE) program. This
research used resources of the Argonne Leadership Computational Facility,
which is a DOE Office of Science user facility supported under contract no. DE-
AC02-06CH11357. TKP thanks Prof. David Simmons, University of Akron for
providing the GA code, which is modified and used for this work. F.Z. and M.T.
acknowledge the support NSF ATOMIC project.
Keywords: 2D materials, Defect engineering, phase transfromation
Presenting authors email: bnarayanan@anl.gov