Materials Seminars

Upcoming Seminars

Long-Range van der Waals Correction to a Semilocal Density Functional: The Tail Need Not Wag the Dog — Dr. John Perdew (3/8/17)

Wednesday, March 8, 2017 @ 12:00 AM

PISB 104

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Abstract

The SCAN [1] (strongly constrained and appropriately normed) meta-generalized gradient approximation satisfies all 17 exact constraints that a semilocal functional can. Without being fitted to any bonded system, it correctly describes most kinds of bonding [2], including intermediate-range van der Waals (vdW) interaction. It can be supplemented [3.4] with a long-range vdW correction such as D3 or rVV10, which have the flexibility to exclude any intermediate-range contrib...

MXene Synthesis in silico — Dr. Susan Sinnott (3/15/17)

Wednesday, March 15, 2017 @ 3:00 PM

PISB 104

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Abstract

A driving force for research is the discovery and design of new materials to improve existing technologies or enable new applications. Material modeling methods are now widely applied in pursuit of this objective. This presentation will review the evolution of some common material modeling methods and their integration with cutting-edge experimental techniques. Illustrative applications will be discussed within the context of layered or two-dimensional materials and will...

 

Winter 2017 Seminar Announcement Flyer

Past Seminars

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