2012 Accelrys North American User Group Meeting - Save the Date

How to Innovate Faster
A Materials Science Webinar Series

Whether rainbow hair is a look you are trying to create or avoid as a materials scientist, you are looking for ways to improve product performance, innovate and reduce time to market. Discover how to make more sustainable products and compounds that look, feel, and perform better in our new webinar series for Materials Scientists.

Attend these webinars and explore the application of materials modeling and simulation to real industry challenges in different areas of science.

The How and Why of Materials Degradation

On Demand

Chemical reactions are taking place every day before your eyes. Do you know why? Explore reactions as the mechanism of material degradation in process and production chemistry. Learn how modeling and simulation helps you understand and predict materials performance in true application environments.



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Materials are at the core of every product, and their ability to last in real-world applications is governed by chemical reactions with their environment and other materials. Chemical reactions govern the complete lifecycle of materials from production to disposal, and are the root cause of materials breakdown in every case. Yet the reasons why these reactions take place and how they affect the performance of materials are often misunderstood.

You’ll learn about:

  • Evaluating reaction energy
  • Determining thermodynamic balance
  • Predicting heat capacity, spectral characteristics, and other properties
  • Automating calculations
  • Storing, documenting, and re-using simulation results

New Approaches in Formulation Chemistry

On Demand

Whether this is a look you are trying to create or avoid as a formulator, you need to master solubility and mixing properties in order to optimize formulated products. Combining ingredients to create better products and materials has been a discipline that required its own mix of art, science, experience, and knowledge.



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Cosmetics, foods, flavorants, chemicals, drugs, paints, adhesives and many more of the products we rely upon as both consumers and manufacturers rely on formulation stability, manufacturability, solubility, breakdown, and overall performance. But, with almost infinite combinations of ingredients and recipes it is a daunting task for the formulator to optimize formulated products.

You’ll learn about:

  • Evaluating miscibility
  • Evaluating reactivity and energy of reactions
  • Analytical characterization of formulations
  • Automating calculations
  • Storing, documenting, and re-using simulation results

Characterizing and Analyzing Materials with Spectra

November 8th – 9am EST/2pm GMT

These cute, colorful hands require quality paint that is bright and safe. Spectral analysis is an important tool for companies who rely on materials innovation to differentiate themselves, but working with and interpreting spectral data can be complex and tedious. Explore how the application of modeling and simulation can help simplify working with and understanding spectral data.



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Spectral analysis, whether Raman, infra-red, UV-visible, NMR, or X-ray - is widely used in the characterization and analysis of materials and chemicals. Spectra allow us to verify that we have made the material we intended to; they enable us to assess the purity of materials we have synthesized; and spectra help us to understand the ingredients and performance of formulations.

You’ll learn about:

  • Automating spectral data manipulation (e.g. background subtraction & peak identification)
  • Structure prediction from experimental data
  • Predicting spectra for a series of alternative molecules
  • Identifying materials in complex reactions
  • Combining experimental and predicted spectra

Engineering New Materials with Nano-Science

November 15th – 9am EST/2pm GMT

Have you stayed in this Belgian hotel? The Atomium was built in the 50’s and is a classic example of a micro-engineering design that has a macro-engineering impact. The performance and properties of composites, alloys, polymers, glass, and every other material is governed by molecular structures and interactions – yet few engineers recognize how they can improve materials performance by manipulating and adjusting matter at the atomistic level.

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Research suggests that at least 20% of all product innovation is based on the introduction of new and innovative materials.

You’ll learn about:

  • Overview of quantum, atomistic, and mesoscale methods for materials modeling
  • Evaluating mechanical, electrical, and thermal properties of engineering materials using modeling
  • Use of "virtual screening" methods to explore a materials design space and guide experimentation
  • Automating calculations
  • Storing, documenting, and re-using simulation results

Materials Modeling for Microelectronics

December 13th - 9am EST/2pm GMT

Did you know semiconductor memory dates back to the 1960's UNIVAC? It held 262,144 words of eight-ported main memory. Today, as scaling of elementary semiconductor devices in the Integrated Circuits approaches its fundamental limits, novel approaches are being sought that involve integration of new materials, new processes and new device design.




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Over the years materials modeling had played a pivotal role in understanding fundamentals of semiconductors physics. However, substantial code and computer developments over the last two decades resulted in qualitative increase of the accuracy, size, and robustness of atomistic calculations leading to an increasingly high impact in more specific engineering applications. In this webinar we'll discuss the place of materials modeling in the semiconductor industry with specific examples in processing, reliability and metrology aspects of metal-oxide-semiconductor (MOS) advanced gate stack engineering.