The Virtual Lab is a collection of simulation software tools specially designed for application in Organic Electronics to be combined into seamless simulation workflows. These workflows enable researchers to generate digital twins of organic thin films and multilayer devices in the computer and perform virtual experiments, such as the examples given here.
Since the generation of these digital twins of OLED and OPV devices may be computationally extensive, we recommend to run our software on HPC architectures with 32 cores or more (the more, the shorter simulation time!). To resolve the complexity connected to HPC computing, we provide the workflow platform SimStack, that enables end-users to set up multiscale simulation workflows locally on their Laptops, but execute them remotely on (HPC) resources. This special client-server setup hides the complexity of multiscale simulations on HPC resources and does not require any specialized training, e.g. in command line execution or queuing systems.
The full virtual lab consists of two parts:
- Parametrizer, DihedralParametrizer, Deposit, QuantumPatch, lightforge are the actual simulation modules performing the work. They need to be installed on a HPC architecture with a Linux operation system.
- The SimStack Workflow Client is installed locally on a Laptop, Mac or Desktop PC to setup OLED and OPV simulations via drag and drop and submit them to a connected HPC resource.
On our download page we offer a free download of the SimStack Client that connects to our in-house server as a test environment.