CCL: Webinar Overview of the ReaxFF/e-ReaxFF reactive force fields
- From: "Mosab BS" <mosab===simulation.re.kr>
- Subject: CCL: Webinar Overview of the ReaxFF/e-ReaxFF reactive
force fields
- Date: Thu, 16 Mar 2023 23:04:20 -0400
Sent to CCL by: "Mosab BS" [mosab a simulation.re.kr]
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,