Seminars

Hands-on workshop

AIChE Annual Student Conference

Partial video of the long simulation for the custom-built thin film.

At Boston, the Computational Materials Nucleus faculty are presenting an introductory workshop for undergraduate students to be introduced to molecular dynamics simulations. Students will learn the basics of interfacial dynamics of atoms for custom-built thin film applications. Students learn interface with RIT's high performance computing (HPC) resources called Research Computing, submit simulations, and post-process output data. 

The workshop titled Custom-Built Thin films at the 2021 AIChE ASC (Annual Student Conference) was widely attended, exceeding capacity. If you were unable to get a USB drive, please download the tutorial contents using the following Google Drive link:  https://drive.google.com/drive/folders/1dZMCKr8DG-PVxoBY4rCKnsnbWe8wIXTo?usp=sharing 

Online workshop

AIChE 2020 Annual Meeting (virtual)

Faculty members of the Computational Materials Nucleus presented an introductory workshop for undergraduate students interested in learning about molecular dynamics simulations and its applications for developing thin film materials. 

Abstract: The workshop will introduce participants to multi-scale modeling, with the focus on molecular dynamics as a tool for custom-building materials for several applications including electronics, drug delivery and industrial processes. Steps necessary to develop representations of physical systems will be outlined and implemented within the LAMMPS software application for a simple example during the workshop.  Students will learn how to analyze output and visualize results for the above demo. Using the demo as a framework, a more complex, industrially relevant example will be discussed to further demonstrate the breadth of capabilities of the molecular dynamics technique. The workshop will wrap up with a brief discussion on the recommended type of graduate training for a career in engineering custom-built materials using multi-scale modeling.

Vimeo Link: https://player.vimeo.com/video/474859283

Typographical error: We regret that a typo was present in the equations for Newton's laws of motion. A negative sign is missing in front of gradient of the potential V for calculating force.

Online viewable seminars

AIChE 2020 Annual Meeting (virtual)

The following research talks were presented by faculty members and students at AIChE 2020

  1. Thermodynamics mixing rules for block random copolymers. Presenter: Prof. Poornima Padmanabhan https://www.youtube.com/watch?v=I0L_cux6KaQ
  2. Size-selective dynamics of large hetero-epitaxial islands on fcc (001) surfaces. Presenter: Prof. Obioma Uche https://youtu.be/xos9R0JljY0
  3. Effects of interfacial properties on the nucleation probability and nucleation induction time of gas hydrates in sediments. Presenter: Dr. Yali Zhang https://youtu.be/OZoEK4ODZPM
  4. Stability of the alternating gyroid formed by an ABC copolymer increases by adding homopolymer. Presenter: Natalie Buchanan https://youtu.be/A4muxQz1aGU

 

Upcoming seminars

February 24, 2022

Prof. David Kofke, SUNY Distinguished Professor, Chemical and Biological Engineering, University at Buffalo 

April 14, 2022

Prof. Eric Jankowski, Associate Professor, Materials Science and Engineering, Boise State University

Past Seminars

February 6, 2020 Prof. Andrew White, University of Rochester

"Iterative Materials Discovery with Maximum Entropy Methods and Deep Learning" at Mechanical, Chemical, and Industrial Engineering Seminar

September 17, 2019 Prof. Bryan Beckingham, Auburn University

"Manipulating Polymer Properties Through Synthetic Design: Copolymerization" at School of Chemistry and Materials Science Seminar Series