Judit Zádor

@jzador

https://jzador.xyz

Joined on Jul 14, 2023

  • by Judit Zádor and Carles Martí Combustion Research Facility, Sandia National Laboratories ACS Fall Meeting August 16, 2023 San Francisco, CA, USA Prepared material for the workshop Running KinBot involves the submission of a large number of quantum chemistry calculations. The total duration of a KinBot run can be long, depending on the requested calculations, the system size, the number of pathways found, and the available resources. For the purpose of this workshop, we prepared a set of files from pre-run calculations. To get the material needed open this link for Windows/Mac or this link for Linux/Mac and extract it.
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