Research
_High Throughput Materials Solution

Overview

Mechanics of NanoMaterials

Materials Design

Scattering & Diffraction Methods

Debluring the noise in data collected from nanomaterials requires large computational effort. Large amounts of computing power are required both to exploit accurate physical models and increase statistical reliability of results. Whereas application of accurate atomistic simulation to the analysis of experimental data is impeded by the limit on availability of computing resources, efficient but yet simplified phenomenological models are not adequate to fully capture the complexity of nanostructured materials. We develop new methods that allow the use of atomistic simulation information to the direct analysis of experimental data.We develop high-performance applications suited for large computing-centers hosting large clusters of CPUs and GPUs. Our goal is the integration of computational with experimental materials sciences.

Tools​​

• Materials Science

• Crystallography

• Multiscale Simulations

• Machine Learning and Data Science

• High-Performance Computing

• X-ray and Neutron Scattering

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Materials

• Single-component Crystals

• Multi-component Crystals

• Poly-Crystals

• Layered-Crystals