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  • Katherine Hollingsworth

A Study of VASP Simulations in Semiconductors: from Materials Engineering to Band Alignment


Upcoming Webinar

A Study of VASP Simulations in Semiconductors: from Materials Engineering to Band Alignment

In this webinar, Dr. Xiaoli Liu will share her experience with MedeA VASP for studying Ga2O3-based materials. Recognized as an increasingly important ultra-wide bandgap material, Ga2O3 has captured the attention of researchers and material developers due to its exceptional properties that hold significant promise for applications in power electronics and optoelectronics. Xiaoli’s presentation will explore the structural and electronic properties of Ga2O3 through VASP calculations with both the PBE and hybrid functionals. The dynamic interplay between innovative device engineering based on Column III oxides and new materials design approaches will be illustrated. Additionally, this webinar will provide a detailed understanding based on accurate, quantitative first principles calculations of the Schottky barrier height (SBH) at metal-semiconductor interfaces. The core energy alignment technique and SBH modification via sulfur doping of an Si/NiSi2 contact will be demonstrated.

MedeA® offers a powerful, versatile platform and tool suite for material exploration and design including the Vienna Ab-Initio Simulation Package (VASP), the world's leading first-principles electronic structure computational tool for solids, surfaces, and interfaces.

Register Now

Webinar Sessions

Tuesday, December 12th:

Live Q&A

10:00 AM PST (USA)

1:00 PM EST (USA)

19:00 CET (EUROPE)

Wednesday, December 13th:

Live Q&A

07:00 AM PST (USA)

10:00 AM EST (USA)

16:00 CET (EUROPE)

20:30 IST (INDIA)

Thursday, December 14th:

Live Q&A

08:00 CST (EUROPE)

12:30 IST (INDIA)

15:00 CST (CHINA)

16:00 JST (JAPAN)

*Recording and Slides

Registrations will also include a link to the recording and slides after the sessions end. Please choose a day and time that works for your schedule. The one hour webinar is repeated on various days and times to fit schedules worldwide.



Dr. Shubham Pandey

Dr. Xiaoli Liu

Dr. Xiaoli Liu is a support and application scientist at Materials Design Inc. She obtained her BS and MS degrees in Materials Science and Engineering from Chongqing University (China) in 2018, and she completed her Ph.D. in Electrical Engineering at Clarkson University in 2022. Dr. Liu's current research focuses primarily on the study of wide-bandgap material properties using first-principles computational methods, to which she brings expertise in the use of VASP. Dr. Liu has also expanded her research into the nanoscale, where she is accumulating a wealth of experience with the development of machine-learned potentials (MLPs) and their application to semiconductor materials and interfaces. Xiaoli leverages her academic background and rich experience to make MDI customer experiences with the MedeA VASP tool suite maximally productive and successful.




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