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Lecture Notes in Computer Science
A Monte Carlo based method due to Mishin  for obtaining activation energies for ionic transport processes has been implemented for empirical-potential models and used in conjunction with Condor and Globus tools. Results are shown for Na + migrating in quartz, and O 2− vacancy hopping in CaTiO3. We also describe the extensions at the Condor/Globus interface we found necessary to implement in order to facilitate transparent file transfer with Condor-G job submission.doi:10.1007/978-3-540-25944-2_63 fatcat:dxorbmjcsbgrtc54modvhb6ak4