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  • Katherine Hollingsworth

Webinar: Predicting Elastic Properties Using Ab Initio And Forcefield Based Simulations

Presented by Dr. David Rigby and Dr. Walter Wolf

Attend this free webinar to:

  • Learn how to set up, execute, and analyze simulations of elastic and thermodynamic properties for a wide range of materials

  • See how to employ such ab initio and forcefield based simulations in a high-throughput materials screening

  • Gain insight into the underlying concepts, such as symmetry-general stress-strain relationships, polycrystalline and ensemble averaging, descriptors for hardness and ductility, Debye-Grüneisen approach to thermodynamics, thermal expansion and melting, and Hill-Walpole averaging

  • Assess validity and accuracy from a wide range of application examples, including intermetallics, semiconductors, oxides, polymer blends, thermosets and reinforced composites



Dr. David Rigby

David is a pioneer in the development of atomistic simulation methods for polymers and has worked with Robert Stepto, R. J. Roe, Bruce Eichinger and many other leaders in developing the field. David joined Materials Design, Inc. in 2009, and has since focused on a variety of polymer-related topics including aerospace composites, electronic packaging and engineering polymers specializing in forcefield and related methods.

Dr. Walter Wolf

Walter is an expert in the development and application of advanced solid-state ab initio methods to materials problems. He joined Materials Design, Inc. in 2001, and leads VASP related development within the MedeA platform and collaborates with industrial customers and partners. Walter has authored over 80 scientific publications, has given numerous lectures in the field of computational materials science, and is based in Vienna where he works closely with the VASP group.

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