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[Webinar] Atomistic-scale simulations of realist ... (No replies)

JaguarMosab
1 year ago
JaguarMosab 1 year ago

Dear colleagues,
We are excited to announce that Materials Square is hosting a free webinar.
https://www.materialssquare.com/webinar.

In this webinar, we invited Prof. Adri van Duin from Penn State University, a renowned expert and world-class scientist specializing in large-scale atomistic modeling of a wide range of materials. Prof. van Duin is the pioneer behind the reactive force field (ReaxFF) method, a groundbreaking computational tool that has been utilized by researchers worldwide in over 1,000 peer-reviewed publications and garnered more than 40,000 citations. ReaxFF offers a powerful and computationally efficient alternative to quantum mechanics-based simulations. The ReaxFF method has contributed valuable insights across various domains, encompassing combustion, materials science, biomaterials, polymers, as well as battery and fuel cell technologies.

In this webinar, Prof. Duin will describe the current concepts of the ReaxFF method, the status of the various ReaxFF codes, including parallel implementations and acceleration methods. Also, He will present and overview of recent and past applications to complex materials, with a focus on 2D-material defect chemistry, metal deposition and recent developments for expansion of ReaxFF for events in graphitic materials that require explicit electrons (e-ReaxFF).

Title: “Developing an “Atomistic-scale simulations of realistic, complex, reactive materials: overview of the ReaxFF/e-ReaxFF reactive force fields and their applications to 2D materials
Presenter: Prof. Adri van Duin (Penn State University)

Date (based on several time zone)

 -Monday, Mar 27th, 2023 (19:00 ~ 20:00) | Los Angeles (PDT)

-Monday, Mar 27th, 2023 (22:00 ~ 23:00) | New York (EDT)

-Tuesday, Mar 28th, 2023 (04:00 ~ 05:00) | Paris (CET)

-Tuesday, Mar 28th, 2023 (05:00 ~ 06:00) | Riyadh (KSA)

-Tuesday, Mar 28th, 2023 (07:30 ~ 08:30) | New Delhi (IST)

-Tuesday, Mar 28th, 2023 (11:00 ~ 12:00) | Seoul (KST)

 

(KST)Registration: https://www.materialssquare.com/webinar Registration is always FREE on materials square webinar.
See you virtual,

Mosab @ Virtual Lab.




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Ab initio (from electronic structure) calculation of complex processes in materials