[QE-users] [Webinar] Atomistic-scale simulations of realistic, complex, reactive materials: overview of the ReaxFF/e-ReaxFF reactive force fields and their applications to 2D materials

[Dr.Mosab Banisalman]

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:*  “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,
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