In this video tip of the week, we’ll show how easy it is to run several PLAMS jobs through the SLURM queueing system, both on one and across several nodes. See also the PLAMS cookbook...
In this video tip of the week we use eReaxFF to simulate the dynamics of explicit Li ion reduction at a graphene surface. These state-of-the-art simulations bring us a step closer to modeling an entire...
In this video tip of the week, Ole demonstrates how the machine learning potential M3GNET can be used to screen layered cathode materials for their Li intercalation potentials, fast and accurate. The input files for...
Last week Professor Evgeny Pidko visited SCM! He talked about the research they are doing on Chemistry automation in the Inorganic Systems Engineering (ISE) Group at TU Delft. One of their goals is the integration...
Our expert in multiscale modeling for catalysis, Dr. Nestor Aguirre, will give a talk next week at the IPAM Spring Workshop III in Los Angeles, titled “Revolutionizing Catalysis Industry through Automated Multiscale Modeling and Active...