Expert Computational Solutions

Our Projects

Explore our expertise in high-performance computing and consulting services.

GPU Optimization

Accelerating your workflows at multiple levels: 1) increasing the aggregate throughput via multiprocessing at the application level, 2) distributing your application workload on shared and distributed systems via MPI and multi-threading, and 3) porting bottlenecks to accelerators via CUDA, SYCL, OpenCL, and OpenMP.

The plot above shows the strong scaling performance of our GPU codes is close to linear and is consistently faster than the version without GPU by a factor of 3 up to 128 nodes on a world-class supercomputer.

Computational Materials Research

Providing guidance to research projects that require modeling, simulation and AI/ML techniques. Modeling soft matter systems such as polymers, proteins, nanoparticles, and colloids, performing large-scale simulation efficiently, employing advanced sampling techniques and data post-processing in parallel, all supported by our experts.

The figure above shows different nanostructures predicted by our Molecular Dynamics simulations that may form depending on the charge fraction of the polymers (fC) and the strength of their electrostatic interaction (lB). The percolated nanostructure is of particular interest in engineering solid electrolyte batteries. ML techniques including classification, neural networks and language-inspired models of polymers are employed for predicting new structures without running simulations.

By creating automated workflows for predicting these nanostructures, we will accelerate the discovery of new materials.

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Contact us for expert training and consulting in HPC solutions.