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.