SimStack facilitates the efficient implementation, adoption and execution of complex and extensive simulation workflows and enables fast uptake of modeling techniques for advanced functional and nanomaterials by industry. Within a few hours, complex modeling solutions are rendered into easy-to-use, market-ready software products for multiscale modeling solutions.

Software and workflow developers can incorporate their modules into SimStack, providing automatically generated graphical user interface for complex scientific code to the end-user. A highly flexible drag-and-drop environment that allows quick adaption of existing workflows to develop custom-tailored solutions that meet the end-user’s needs.
SimStack hides complexity of high-performance computing on remote resources and allows end-users in industry to incorporate competitive edge models and scalable scientific simulations into their virtual design process.

DFT-Surface

Understanding the adsorption nature and reactions of molecules at metal surfaces or graphene sheets is vital for heterogeneous catalysis or battery materials, which might bridge the industrial needs for material properties and aging processes. This workflow combines four different WaNos Read More ...

Electrolyte Screening

To understand the solvation structure-conductivity relationship of a concentrated-salt system, and analyze the electronic structure of the solvation complex in the sense of binding strengthen between cation and coordinated solvent/anion. We propose this workflow, which essentially is an artificial solvation Read More ...

Predictive OLED design

In the field of organic electronics (OLED and OPV), industrial R&D is still dominated by time-consuming and costly experimental trial&error approaches. Using SimStack, a bottom up multiscale modeling workflow is implemented that allows the prediction of device properties without the Read More ...

Mechanical properties of Nano-materials

Optimization of mechanical properties (elasticity, plasticity, eigenfrequencies) of nanomaterial based, low weight elements in automotive industry.

Functional thermotuneable coating

Optimization of multi-functional thermos-tuneable coating for dynamic solar gain / shielding for energy friendly construction

Photonic devices beyond Nanowires

Development of new energy-efficient nanoscale electric and photonic devices beyond nanowires, nanoparticle arrays and quantum wells, by multiscale-modeling

SimStack Workflow Environment

SimStack enables the creation of reusable, flexible and complex materials simulations building blocks and aggregates for rapid prototyping.

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SIMSTACK Workflow Platform

The SimStack Workflow Platform links software for nano- and advanced
materials simulation to the demands of nano- and materials R&D in the industrial sector and renders complex workflows into market ready products on the basis of three innovative modules:

The SimStack Workflow Client is an easy-to-use graphical user interface for workflow execution by the end-user and features:

Rapid prototyping by efficient incorporation of new scientific software and verification of data transfer between individual modules, and construction of complex re-usable workflows
Drag-and-drop design, modification and extension of existing workflows with all essential functional elements such as iterators and loops using software packages from various sources
Automated execution of workflows on remote computing resources in just a few clicks in combination with the SimStack Server
Low maintenance and light end-user installation: Only the Workflow Client is installed at the end-user.
Incorporation of modules from any source (academic codes or commercial tools) in less than an hour including the automated generation of a graphical user interface for any type of code.

The SimStack Server is the module on remote computational resources, either in-house or as on the cloud for on-demand SaaS (Software as a Service), providing the following advantages:

Hidden complexity of job submission, monitoring and file transfer in combination with the SimStack Client
On-demand scaling and pay-per-use of cloud resources eliminate up-front costs
Limited time and cost for setup of modeling solutions, as only the SimStack Client is installed at the end-user, while complex software modules reside on the remote resource.
Workflow developers can provide their SimStack based, market-ready workflow products in form of pay-per-use overlays on cloud computing resources. This generates an extensive network for developers of modeling solutions and end-users in industrial R&D.

The Simstack WaNo Architect (under development) is an intelligend graphical editor that:

assists the incorporation of software into standardized Workflow active Nodes (WaNo)
maximizes productivity of the developers while minimizing training periods
provides an installation free test-bed in combination with the Simstack SimPack